SCHEMBL1162774

SCHEMBL1162774

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 1.00
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ SRC P12931 2/20 0.43
▸ ADORA2B P29275 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ CLK1 P49759 2/20 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
SCHEMBL1162827 0.91 BTK (0.83) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1162751 0.88 BTK (0.78) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1163102 0.87 BTK (0.77) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1162747 0.81 BTK (0.67) BTKADORA2AADORA1KDM4EADORA2B
SCHEMBL8587121 0.79 BTK (0.66) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL18800611 0.78 BTK (0.64) BTKHSD17B10ADORA2AADORA1KDM4E
SCHEMBL8586650 0.77 BTK (0.63) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL18800760 0.76 BTK (0.61) BTKHSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL8402235 0.75 BTK (0.75) BTKADORA2AADORA1SRCCLK1
SCHEMBL1162731 0.74 BTK (0.58) BTKHSD17B10CYP1A2CYP3A4CYP2D6

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 13 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-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
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
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US 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
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 — — US 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
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 1/4885HSD17B10 4010/4885CYP1A2 1050/4885

“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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