SCHEMBL3722098

SCHEMBL3722098

O=C(Nc1ccnc(F)c1)c1cnc2c(Br)cc(Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ MALT1 Q9UDY8 7/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMARCA2 P51531 3/20 0.34
▸ SMARCA4 P51532 2/20 0.34

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
SCHEMBL3724331 1.00 GRM5 (0.40) GRM5KCNH2SCN10AHDAC4MALT1
SCHEMBL3728530 0.90 SMARCA2 (0.44) GRM5HDAC4MALT1MEN1KMT2A
SCHEMBL3718034 0.89 GRM5 (0.41) GRM5SCN10AHDAC4MALT1MEN1
SCHEMBL13745102 0.87 GRM5 (0.40) GRM5SCN10AHDAC4MALT1MEN1
SCHEMBL3722056 0.86 ROCK2 (0.43) MEN1KMT2ARXFP1NPC1SMARCA2
SCHEMBL3721115 0.80 GAA (0.38) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL3668652 0.78 SMARCA2 (0.46) GRM5HDAC4MALT1MEN1KMT2A
SCHEMBL3723426 0.77 FAAH (0.38) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL3721289 0.75 ROCK2 (0.47) MEN1KMT2ASMARCA2SMARCA4
SCHEMBL2359200 0.73 NAPRT (0.32) MEN1KMT2ARXFP1

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 10 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
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-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US 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
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — 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 GRM5 2875/4885KCNH2 1083/4885SCN10A 3105/4885

“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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