SCHEMBL1163102

SCHEMBL1163102

COc1cccc(-c2cnc(Cl)c(Nc3ccccc3Cl)c2C#N)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.77
▸ SRC P12931 5/20 0.47
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ ADORA2B P29275 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PRKCQ Q04759 1/20 0.42
▸ PRKCD Q05655 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL1162774 0.87 BTK (1.00) BTKSRCADORA2AADORA1ADORA2B
SCHEMBL1162747 0.81 BTK (0.67) BTKADORA2AADORA1ADORA2BKDM4E
SCHEMBL1162827 0.78 BTK (0.83) BTKSRCADORA2AADORA1ADORA2B
SCHEMBL1162751 0.77 BTK (0.78) BTKADORA2AADORA1ADORA2BKDM4E
SCHEMBL8587121 0.75 BTK (0.66) BTKSRCADORA2AADORA1ADORA2B
SCHEMBL1162731 0.74 BTK (0.58) BTKADORA2AADORA1ADORA2BKDM4E
SCHEMBL8402204 0.73 BTK (0.52) BTKADORA2AADORA1ADORA2BKDM4E
SCHEMBL8586650 0.73 BTK (0.63) BTKADORA2AADORA1ADORA2BKDM4E
SCHEMBL18800760 0.69 BTK (0.61) BTKSRCADORA2AADORA1HSD17B10
SCHEMBL25060006 0.69 ADORA2A (0.54) BTKADORA2AADORA1ADORA2BKDM4E

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
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
EP-2464647-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-06-20 — — EP disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — US disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 — — 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 (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-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 BTK 1/4885SRC 29/4885ADORA2A 777/4885

“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.

Send feedback