SCHEMBL3723426

SCHEMBL3723426

O=C(Nc1ccncn1)c1cnc2c(Br)cc(Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL3721181 0.89 JAK2 (0.39) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3722056 0.85 ROCK2 (0.43) JAK2JAK1TYK2NR3C1MEN1
SCHEMBL3721115 0.81 GAA (0.38) ATRMEN1NPC1RAB9AKMT2A
SCHEMBL3728530 0.80 SMARCA2 (0.44) GRM5MEN1KMT2A
SCHEMBL3729819 0.79 TYK2 (0.44) JAK2JAK1TYK2GRM4NR3C1
SCHEMBL3724331 0.77 GRM5 (0.40) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL3722098 0.77 GRM5 (0.40) GRM5MEN1NPC1RAB9AKMT2A
SCHEMBL13062346 0.76 NR3C1 (0.34) GRM5NR3C1MEN1NPC1RAB9A
SCHEMBL2359200 0.74 NAPRT (0.32) MEN1KMT2A
SCHEMBL3719864 0.74 MALT1 (0.31) —

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-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — 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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 FAAH 4721/4885CHRNB2 4793/4885CHRNB4 4795/4885

“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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