SCHEMBL6115853

SCHEMBL6115853

Cc1ccccc1Nc1ncc(-c2ccc3[nH]ncc3c2)c2c(N)n[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.67
▸ TRPA1 O75762 6/20 0.54
▸ S1PR1 P21453 1/20 0.43
▸ KDR P35968 2/20 0.43
▸ KIT P10721 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TGFBR1 P36897 2/20 0.41
▸ USP7 Q93009 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ DYRK3 O43781 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39

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
SCHEMBL8402304 0.88 BTK (0.74) BTKKDRKITFLT3
SCHEMBL8402292 0.83 BTK (0.80) BTKKDRKITFLT3CDK5
SCHEMBL6115834 0.83 BTK (0.74) BTKKDRKITFLT3CLK2
SCHEMBL8402312 0.82 BTK (0.66) BTKKDRKITFLT3MAPK14
SCHEMBL6115528 0.81 BTK (0.72) BTKKDRKITFLT3CLK2
SCHEMBL8402297 0.81 BTK (0.72) BTKKDRKITFLT3
SCHEMBL1163758 0.80 BTK (1.00) BTKKDRKITFLT3
SCHEMBL6115784 0.80 BTK (0.81) BTKKDRKITFLT3
SCHEMBL8402320 0.79 BTK (0.83) BTKKDRKITFLT3
SCHEMBL6115634 0.79 BTK (0.72) BTKKDRKITFLT3TGFBR1

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

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

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 1/4885TRPA1 2678/4885S1PR1 1497/4885

“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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