SCHEMBL1042925

SCHEMBL1042925

O=C1Cc2cnccc2Nc2ncccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
GSK3B P49841 3/20 0.36
CCNB2 O95067 4/20 0.35
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CDK5 Q00535 4/20 0.35
CDK5R1 Q15078 4/20 0.35
CCNB3 Q8WWL7 4/20 0.35
KDR P35968 2/20 0.35

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
SCHEMBL1042236 0.89 CYP1A2 (0.48) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
SCHEMBL2809390 0.84 CYP1A2 (0.59) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
SCHEMBL2357532 0.75 CYP1A2 (0.50) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
SCHEMBL29572479 0.75 CYP1A2 (0.50) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
SCHEMBL13747649 0.75 CYP1A2 (0.55) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
SCHEMBL658301 0.71 PDE3B (0.59) CYP1A2CYP2C9CYP11B1CYP11B2GSK3B
SCHEMBL13629292 0.70 CYP1A2 (0.43) CYP1A2SMN1; SMN2ALDH1A1CYP2C9NPC1
Bromide SCHEMBL15650437 0.70 PDE3B (0.57) CYP1A2CYP2C9CYP11B1CYP11B2GSK3B
SCHEMBL11317712 0.70 SRC (0.47) CYP1A2SMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL2810679 0.69 CDK2 (0.45) GAAMAPTGSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 EP disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP1A2 2692/4885SMN1; SMN2 3556/4885ALDH1A1 3705/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP1A2 2692/4885SMN1; SMN2 3556/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CYP1A2 2692/4885SMN1; SMN2 3556/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 CYP1A2 2692/4885SMN1; SMN2 3556/4885ALDH1A1 3705/4885

“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.