SCHEMBL1162959

SCHEMBL1162959

COc1cccc(-c2cnc(N(C(C)=O)c3ccccc3C)c(Cl)c2C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.52
▸ HTT P42858 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ GLA P06280 1/20 0.39
▸ XDH P47989 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL1162796 0.90 KMT2A (0.44) BTKHTTTP53KMT2AKDM4E
SCHEMBL1163121 0.79 ALDH1A1 (0.43) HTTTP53KMT2AKDM4EHPGD
SCHEMBL1162747 0.74 BTK (0.67) BTKHTTTP53KMT2AKDM4E
SCHEMBL1162827 0.74 BTK (0.83) BTKHTTTP53KMT2AKDM4E
SCHEMBL1162751 0.71 BTK (0.78) BTKKMT2AKDM4ENPSR1RXFP1
SCHEMBL24257700 0.69 BTK (0.54) BTKHTTTP53KMT2AKDM4E
SCHEMBL30453695 0.69 BTK (0.54) BTKHTTTP53KMT2AKDM4E
SCHEMBL1162774 0.69 BTK (1.00) BTKTP53KDM4ENPSR1RXFP1
SCHEMBL1162731 0.67 BTK (0.58) BTKHTTTP53KMT2AKDM4E
SCHEMBL8587121 0.66 BTK (0.66) BTKHTTTP53KMT2AKDM4E

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 1/4885HTT 4673/4885TP53 1354/4885

“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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