SCHEMBL8402340

SCHEMBL8402340

Cc1ccccc1Nc1ncc(-c2ccccn2)c2c(N)n[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.66
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ KIT P10721 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ GAA P10253 5/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ HTT P42858 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL8402297 0.87 BTK (0.72) BTKJAK1TYK2JAK3KIT
SCHEMBL8402292 0.85 BTK (0.80) BTKJAK1TYK2JAK3KIT
SCHEMBL16161460 0.82 BTK (0.66) BTKKITKDRFLT3GAA
SCHEMBL6116183 0.81 BTK (0.73) BTKKITKDRFLT3GAA
SCHEMBL6115834 0.81 BTK (0.74) BTKJAK1TYK2JAK3KIT
SCHEMBL8402312 0.80 BTK (0.66) BTKJAK3KITKDRFLT3
SCHEMBL8402304 0.80 BTK (0.74) BTKKITKDRFLT3KDM4E
SCHEMBL1163758 0.80 BTK (1.00) BTKKITKDRFLT3ALDH1A1
SCHEMBL6115528 0.79 BTK (0.72) BTKKITKDRFLT3GAA
SCHEMBL8402320 0.79 BTK (0.83) BTKJAK1TYK2JAK3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885JAK2 12/4885JAK1 3/4885

“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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