SCHEMBL3535995

SCHEMBL3535995

O=Cc1cccc2[nH]nc(C=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDR P35968 4/20 0.38
MAPK8 P45983 3/20 0.38
MAPK9 P45984 3/20 0.38
LCK P06239 3/20 0.38
CSF1R P07333 3/20 0.38
FGFR1 P11362 3/20 0.38
ROCK1 Q13464 3/20 0.38
PDPK1 O15530 2/20 0.38
KIT P10721 2/20 0.38
FLT3 P36888 2/20 0.38
MAPK10 P53779 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38

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
SCHEMBL29955303 1.00 CYP2A6 (0.39) CYP2A6MEN1KMT2ALMNATHRB
SCHEMBL29955478 0.80 IMPDH2 (0.38) MEN1KMT2ALMNATHRBTDP1
SCHEMBL29935700 0.80 PARP1 (0.38) MEN1KMT2ALMNAKDRMAPK8
SCHEMBL29957225 0.80 MAPK1 (0.47) CYP2A6MEN1KMT2ALMNAKDR
SCHEMBL18368425 0.80 CYP1A2 (0.43) CYP2A6MEN1KMT2ALMNATHRB
SCHEMBL18787274 0.80 CYP2A6 (0.49) CYP2A6MEN1KMT2ALMNAKDR
SCHEMBL5953135 0.80 PARP1 (0.38) MEN1KMT2ALMNAKDRMAPK8
SCHEMBL29956089 0.80 PDPK1 (0.43) CYP2A6MEN1KMT2ALMNATHRB
SCHEMBL15566365 0.80 PDPK1 (0.43) CYP2A6MEN1KMT2ALMNATHRB
SCHEMBL12016953 0.80 MAPK1 (0.47) CYP2A6MEN1KMT2ALMNAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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 (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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CYP2A6 671/4885MEN1 2184/4885KMT2A 2954/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CYP2A6 3237/4885MEN1 1771/4885KMT2A 1429/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CYP2A6 303/4885MEN1 1653/4885KMT2A 3144/4885

“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.