SCHEMBL3664306

SCHEMBL3664306

COc1ccc(CN(c2ccccn2)c2cc(Cl)nn3c(C(=O)Nc4ccnc(F)c4)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ THRB P10828 2/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ BUB1 O43683 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR3C1 P04150 4/20 0.35

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
SCHEMBL3720248 0.86 NOD2 (0.36) MAPTTHRBSMN1; SMN2NPC1RAB9A
SCHEMBL3726442 0.85 CCNE1 (0.36) DHODHBUB1ALDH1A1HRH1TRPM8
SCHEMBL3726443 0.85 CCNE1 (0.36) DHODHBUB1ALDH1A1HRH1TRPM8
SCHEMBL3720947 0.84 NR3C1 (0.35) MAPTSMN1; SMN2NPC1RAB9ABUB1
SCHEMBL3717107 0.83 NR3C1 (0.39) MAPTDHODHBUB1MEN1ALDH1A1
SCHEMBL3022661 0.82 DHODH (0.42) MAPTSMN1; SMN2NPC1PKMRAB9A
SCHEMBL3730213 0.81 TYK2 (0.40) DHODHGAANR3C1
SCHEMBL3723311 0.77 MALT1 (0.37) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3318342 0.76 HRH1 (0.41) MAPTTHRBSMN1; SMN2GAABLM
SCHEMBL12012897 0.76 HRH1 (0.41) MAPTTHRBSMN1; SMN2BLMPMP22

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 11 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
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 MAPT 4285/4885THRB 2610/4885GRM4 4120/4885

“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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