SCHEMBL12806084

SCHEMBL12806084

C=CC(=O)Nc1cccc(Sc2c(OC)nc(N3CCN(C)CC3)nc2OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL3 P15374 1/20 0.51
▸ ERBB2 P04626 1/20 0.50
▸ EGFR P00533 7/20 0.47
▸ JAK3 P52333 5/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ BLK P51451 3/20 0.47
▸ BMX P51813 2/20 0.47
▸ CTSC P53634 8/20 0.47
▸ BTK Q06187 5/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ ITK Q08881 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ NUAK1 O60285 1/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ ERBB4 Q15303 1/20 0.47
▸ DCLK3 Q9C098 1/20 0.47
▸ NUAK2 Q9H093 1/20 0.47
▸ EML4 Q9HC35 1/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.47

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
SCHEMBL18060636 0.90 JAK3 (0.45) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL18060751 0.90 EGFR (0.49) EGFRJAK3JAK2BTKJAK1
SCHEMBL18060638 0.90 JAK3 (0.45) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL12806196 0.88 UCHL3 (0.54) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL18061042 0.87 MAPT (0.41) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL12805969 0.87 UCHL3 (0.48) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL1276167 0.86 SMN1; SMN2 (0.44) EGFRNUAK1NUAK2DRD3
SCHEMBL1275994 0.86 NPC1 (0.48) EGFRJAK3NUAK1NUAK2
SCHEMBL18060720 0.85 UCHL3 (0.51) UCHL3ERBB2EGFRJAK3JAK2
SCHEMBL1275384 0.85 RAB9A (0.47) BTKFLT3

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 10 patents. 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
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-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
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
US-9567318-B2 Substituted pyrimidine compounds and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-02-14 — — 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
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

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 UCHL3 1621/4885ERBB2 662/4885EGFR 759/4885
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 UCHL3 1621/4885ERBB2 662/4885EGFR 759/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 UCHL3 1621/4885ERBB2 662/4885EGFR 759/4885
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 UCHL3 1621/4885ERBB2 662/4885EGFR 759/4885
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 UCHL3 1621/4885ERBB2 662/4885EGFR 759/4885

“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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