SCHEMBL1275156

SCHEMBL1275156

COc1nc(N2CCN(C)CC2)nc(OC)c1Sc1cccc(NC(=O)C2CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ USP2 O75604 3/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ RIPK1 Q13546 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53BP1 Q12888 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL12806175 0.97 AURKA (0.48) TSHRMEN1KMT2AKDM4ETP53
SCHEMBL12806256 0.96 MEN1 (0.49) TSHRMEN1KMT2AKDM4ETP53
SCHEMBL18060776 0.86 KDM4E (0.48) TSHRMEN1KMT2AKDM4ETP53
SCHEMBL1276167 0.84 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL1275994 0.84 NPC1 (0.48) MEN1KMT2AAURKAAURKBPOLB
SCHEMBL18061042 0.83 MAPT (0.41) HTR2CALDH1A1POLBMAPT
SCHEMBL12806084 0.83 UCHL3 (0.51) HTR1A
SCHEMBL1275384 0.83 RAB9A (0.47) TSHRMEN1KMT2ATP53NPSR1
SCHEMBL18060638 0.83 JAK3 (0.45) TP53ALDH1A1POLBMAPT
SCHEMBL18060636 0.83 JAK3 (0.45) TP53ALDH1A1POLBMAPT

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 TSHR 4420/4885MEN1 2935/4885KMT2A 3367/4885
US-10758538-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 TSHR 4420/4885MEN1 2935/4885KMT2A 3367/4885
US-20120252818-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 TSHR 4420/4885MEN1 2935/4885KMT2A 3367/4885
US-20190038626-A1 HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME HSPBP1, HSF1, HSPA2 TSHR 4420/4885MEN1 2935/4885KMT2A 3367/4885
US-10052325-B2 Heat shock protein binding compounds, compositions, and methods for making and using same HSPBP1, HSF1, HSPA2 TSHR 4420/4885MEN1 2935/4885KMT2A 3367/4885

“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.

Send feedback