SCHEMBL2116841

SCHEMBL2116841

N#Cc1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
NSD2 O96028 1/20 0.30

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
SCHEMBL29278800 0.78 MAPK1 (0.32) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL9617370 0.74 KDM4E (0.43) KDM4EGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1993425 0.73 MAPK1 (0.43) KDM4EMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL9621851 0.73 ALDH1A1 (0.41) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL3127966 0.73 ALDH1A1 (0.50) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL25619882 0.72 SMN1; SMN2 (0.34) KDM4EGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9735297 0.72 KHK (0.32) MAPK1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL6445365 0.71 ALDH1A1 (0.55) KDM4EGAAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL796385 0.69 TSHR (0.42) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL24091481 0.69 KMO (0.36) MAPK1ALDH1A1SMN1; SMN2TP53MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
US-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 US disclosed
WO-2023099624-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP disclosed
EP-0135381-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-28 EP disclosed
EP-0135381-A1 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-27 EP 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 (2 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 KDM4E 2690/4885GAA 3301/4885MAPK1 822/4885
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST KDM4E 4378/4885GAA 2959/4885MAPK1 1217/4885

“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.