SCHEMBL14022011

SCHEMBL14022011

Cc1[nH]c2cc(C#N)ccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ ITK Q08881 2/20 0.43
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CSNK1G2 P78368 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ CHUK O15111 1/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 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
SCHEMBL13243050 0.82 ITK (0.41) ALDH1A1CYP2A6ITKNOS3NOS1
SCHEMBL6007662 0.80 CHUK (0.53) ALDH1A1CYP2A6ITKNOS3NOS1
SCHEMBL14214427 0.80 L3MBTL1 (0.46) ALDH1A1CYP2A6ITKNOS3NOS1
SCHEMBL6008260 0.79 KIF11 (0.58) ALDH1A1CYP2A6ITKNOS3NOS1
SCHEMBL31025877 0.78 PIN1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL28300282 0.78 ALK (0.41) ALDH1A1CYP2A6ITKNOS3NOS1
SCHEMBL20611958 0.78 AHR (0.56) AHRALDH1A1KDM4ETHRBHPGD
SCHEMBL10481569 0.77 KDM4E (0.49) ALDH1A1ITKNOS3NOS1NOS2
SCHEMBL29894052 0.76 KDM4E (0.59) ALDH1A1NOS3NOS1NOS2KDM4E
SCHEMBL4736477 0.76 KDM4E (0.59) ALDH1A1NOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 — — US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 — — 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 (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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C AHR 523/4885ALDH1A1 650/4885CYP2A6 1054/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C AHR 1267/4885ALDH1A1 645/4885CYP2A6 1389/4885

“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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