SCHEMBL1275994

SCHEMBL1275994

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EGFR P00533 7/20 0.46
▸ NUAK1 O60285 1/20 0.46
▸ NUAK2 Q9H093 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SRC P12931 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41

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
SCHEMBL1276167 0.92 SMN1; SMN2 (0.44) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL18060670 0.90 KCNQ3 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL18977905 0.90 KMT2A (0.46) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL12806256 0.88 MEN1 (0.49) MEN1KMT2AMAPTAURKAAURKB
SCHEMBL12806188 0.87 NPC1 (0.51) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL1275377 0.86 MAPT (0.42) NPC1RAB9AMEN1KMT2AEGFR
SCHEMBL1275384 0.86 RAB9A (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18061042 0.86 MAPT (0.41) NPC1RAB9AEGFRNUAK1NUAK2
SCHEMBL12806084 0.86 UCHL3 (0.51) EGFRNUAK1NUAK2JAK3
SCHEMBL18060638 0.85 JAK3 (0.45) EGFRNUAK1NUAK2MAPTJAK3

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 12 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
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

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 NPC1 2801/4885RAB9A 4162/4885MEN1 2935/4885
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 NPC1 2801/4885RAB9A 4162/4885MEN1 2935/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 NPC1 2801/4885RAB9A 4162/4885MEN1 2935/4885
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 NPC1 2801/4885RAB9A 4162/4885MEN1 2935/4885
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 NPC1 2801/4885RAB9A 4162/4885MEN1 2935/4885

“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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