SCHEMBL2749558

SCHEMBL2749558

Cc1cccc2cc(O)ncc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.47
CYP2A6 P11509 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 2/20 0.35
DDO Q99489 2/20 0.35
TLR8 Q9NR97 1/20 0.35
KDR P35968 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL8404524 0.80 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL28035287 0.80 IDO1 (0.61) CYP1A2ALDH1A1IDO1TDO2KDM4E
SCHEMBL29404615 0.80 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL28514949 0.78 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2748752 0.77 CHEK1 (0.46) CYP1A2CYP2A6ALDH1A1IDO1TDO2
SCHEMBL1397048 0.77 IDO1 (0.41) IDO1TDO2KDM4EHSD17B1HSD17B2
SCHEMBL12911327 0.77 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2747921 0.77 IDO1 (0.41) IDO1TDO2KDM4ETDP1
SCHEMBL18848569 0.77 CYP1A2 (0.47) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1397032 0.77 MAPT (0.49) ALDH1A1HPGDHSD17B10IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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 (1 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 CYP1A2 2804/4885CYP2A6 4467/4885ALDH1A1 945/4885

“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.