SCHEMBL2652713

SCHEMBL2652713

N#Cc1cc(-c2ccccc2)sc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
IKBKB O14920 3/20 0.49
GRM6 O15303 1/20 0.47
ADORA1 P30542 3/20 0.46
MAPT P10636 6/20 0.45
GFER P55789 1/20 0.45
ADORA2A P29274 2/20 0.44
ALOX15 P16050 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
BTK Q06187 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL3512492 0.82 CYP2A6 (0.50) GAAALDH1A1HPGDMEN1IKBKB
SCHEMBL27529901 0.81 GAA (0.54) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL16689467 0.78 IKBKB (0.41) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL16690782 0.78 APP (0.50) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL1843875 0.74 IKBKB (0.49) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL5491089 0.74 ALDH1A1 (0.58) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL14234140 0.72 RAB9A (0.50) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL10714700 0.71 ALDH1A1 (0.36) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL28229746 0.71 GAA (0.55) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL3301918 0.70 ADORA1 (0.46) ALDH1A1HPGDMEN1KMT2AGRM6

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
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
US-20220356164-A1 2-AMINOSELENOPHEN COMPOUNDS WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME ZHUHAI JINAN SELENIUM SOURCE NANOTECHNOLOGY CO., LTD. (CN) 2022-11-10 US disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
EP-1807411-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-07-18 EP disclosed
US-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-04 US disclosed
WO-2006042850-A1 CYANOTHIOPHENES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 WO disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 EP disclosed
US-4111956-A Process for the manufacture of heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-05 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 (3 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-20060094764-A1 Cyanothiophenes, their preparation and their use in pharmaceutical compositions GLRB, GPR6, GRM3 GAA 1420/4885ALDH1A1 3592/4885HPGD 3417/4885
US-20220356164-A1 2-AMINOSELENOPHEN COMPOUNDS WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME SLC11A2, LSS, AASDHPPT GAA 2401/4885ALDH1A1 2155/4885HPGD 1954/4885
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885ALDH1A1 266/4885HPGD 1673/4885

“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.