SCHEMBL13013480

SCHEMBL13013480

O=C(Nc1ccncc1F)c1ccc2c(Nc3cccc(N[C@H]4CC[C@H](O)CC4)n3)cc(N[C@H]3CC[C@H](O)CC3)nn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.41
▸ TGFBR1 P36897 5/20 0.38
▸ PIM2 Q9P1W9 2/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ TGFBR2 P37173 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ ROCK2 O75116 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
SCHEMBL13013499 0.96 PIM1 (0.38) PIM1TGFBR1PIM2PIM3OPRM1
SCHEMBL3721474 0.88 TYK2 (0.43) PIM1NTRK1
SCHEMBL3721470 0.88 TYK2 (0.43) PIM1NTRK1
SCHEMBL13013500 0.87 TGFBR1 (0.36) PIM1TGFBR1PIM2PIM3TGFBR2
SCHEMBL13013501 0.86 PIM1 (0.34) PIM1TGFBR1PIM2PIM3TGFBR2
SCHEMBL13013508 0.85 IRAK4 (0.34) PIM1TGFBR1TGFBR2
SCHEMBL3722482 0.85 TYK2 (0.42) CDK2
SCHEMBL3722474 0.85 TYK2 (0.42) CDK2
SCHEMBL3780555 0.81 TYK2 (0.45) CDK2
SCHEMBL3780569 0.81 TYK2 (0.45) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PIM1 42/4885TGFBR1 2134/4885PIM2 39/4885

“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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