SCHEMBL8402235

SCHEMBL8402235

COc1cccc(-c2cnc(Nc3ccccc3Cl)c3[nH]nc(N)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.75
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ KDR P35968 2/20 0.45
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ CLK1 P49759 2/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL6115784 0.89 BTK (0.81) BTKADORA2AADORA1KDRABL1
SCHEMBL16161505 0.89 BTK (0.59) BTKADORA2AADORA1ABL1EGFR
SCHEMBL6115583 0.86 BTK (1.00) BTKADORA2AADORA1KDRABL1
SCHEMBL8402322 0.84 BTK (0.71) BTKADORA2AADORA1KDRPIK3CA
SCHEMBL8402333 0.82 BTK (0.74) BTKADORA2AADORA1KDRSRC
SCHEMBL6115895 0.80 BTK (0.78) BTKKDRGAAMAPT
SCHEMBL6115716 0.79 BTK (1.00) BTKKDR
SCHEMBL8402311 0.79 BTK (0.76) BTKADORA2AADORA1KDR
SCHEMBL1163758 0.78 BTK (1.00) BTKKDRABL1EGFRSRC
SCHEMBL6115834 0.77 BTK (0.74) BTKKDRPIK3CA

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
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
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — 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

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 1/4885ADORA2A 777/4885ADORA1 706/4885

“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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