SCHEMBL2530739

SCHEMBL2530739

Cc1ncccc1OBOc1cccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB1 P11230 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAP4K4 O95819 1/20 0.39
DCPS Q96C86 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TGFBR1 P36897 1/20 0.35
P2RX7 Q99572 1/20 0.35
PLAU P00749 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL11989066 0.85 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL6545410 0.79 ADORA2A (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL1888792 0.78 CHRNB2 (0.40) CHRNB2CHRNA4NPC1L3MBTL1MAPT
SCHEMBL30711544 0.77
SCHEMBL1179274 0.77
SCHEMBL10367234 0.76
SCHEMBL22766467 0.76
SCHEMBL10854983 0.76
SCHEMBL321659 0.75 CHRNB4 (0.44) CHRNB4CHRNA3NPC1PLAUGRM5
SCHEMBL31461865 0.74 ALDH1A1 (0.52) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181246-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2015-11-10 US disclosed
US-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-12-04 US disclosed
US-8822446-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2014-09-02 US disclosed
EP-2560971-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-02-27 EP disclosed
WO-2011133388-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-10-20 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-20140357616-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CHRNB2 3851/4885CHRNA4 4250/4885CHRNB1 3160/4885
US-20110257152-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 CHRNB2 3851/4885CHRNA4 4250/4885CHRNB1 3160/4885

“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.