SCHEMBL1276309

SCHEMBL1276309

CC(=O)Nc1cccc(Sc2cnc(N3CCN(C)CC3)nc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.49
▸ CCNK O75909 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ PAK1 Q13153 1/20 0.46
▸ EGFR P00533 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ BTK Q06187 2/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ SCN9A Q15858 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ OGA O60502 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1276145 0.89 CCNT1 (0.46) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL12936281 0.89 CCNT1 (0.46) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL12806172 0.83 EGFR (0.48) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1276355 0.82 SCN9A (0.47) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1275241 0.82 SCN9A (0.46) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1276114 0.81 SCN9A (0.45) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1276369 0.80 EGFR (0.40) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1276322 0.79 HRH4 (0.44) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL1275968 0.79 HRH4 (0.46) CCNT1CCNKCYP3A4CCND3CDK9
SCHEMBL12806037 0.76 NPC1 (0.42) EGFRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-09-01 — — US disclosed
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-09-01 — — US disclosed
EP-3205647-B1 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-13 — — EP disclosed
EP-3205647-B1 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-13 — — EP disclosed
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2019-02-07 — — US disclosed
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2019-02-07 — — US disclosed
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-08-21 — — US disclosed
EP-3205647-A2 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Memorial Sloan-Kettering Cancer Center (US) 2017-08-16 — — EP disclosed
EP-3205647-A2 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Memorial Sloan-Kettering Cancer Center (US) 2017-08-16 — — EP disclosed
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER 2017-06-15 — — US disclosed
WO-2011022440-A9 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2016-11-10 — — WO disclosed
WO-2011022440-A9 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2016-11-10 — — WO disclosed
EP-2467142-B1 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders SLOAN KETTERING INST CANCER (US) 2016-09-21 — — EP disclosed
EP-2467142-B1 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders SLOAN KETTERING INST CANCER (US) 2016-09-21 — — EP disclosed
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2012-10-04 — — US disclosed
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2012-10-04 — — US disclosed
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2012-10-04 — — US disclosed
EP-2467142-A2 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME Memorial Sloan-Kettering Cancer Center (US) 2012-06-27 — — EP disclosed
WO-2011022440-A2 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2011-02-24 — — WO disclosed
WO-2011022440-A2 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2011-02-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170165265-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 CCNT1 1314/4885CCNK 735/4885CYP3A4 4846/4885
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 CCNT1 1314/4885CCNK 735/4885CYP3A4 4846/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 CCNT1 1314/4885CCNK 735/4885CYP3A4 4846/4885
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 CCNT1 1314/4885CCNK 735/4885CYP3A4 4846/4885
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 CCNT1 1314/4885CCNK 735/4885CYP3A4 4846/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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