SCHEMBL3723311

SCHEMBL3723311

COc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccnc(Cl)c4)cnc23)C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.37
▸ TYK2 P29597 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR3C1 P04150 8/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 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
SCHEMBL3720947 0.93 NR3C1 (0.35) MALT1TYK2MEN1LMNAHPGD
SCHEMBL3722488 0.88 CCNE1 (0.38) TYK2CCR5PDE1B
SCHEMBL3667219 0.88 FYN (0.37) MALT1TYK2LMNAHIF1ARAB9A
SCHEMBL3722490 0.88 CCNE1 (0.38) TYK2CCR5PDE1B
SCHEMBL3720021 0.88 TYK2 (0.33) MALT1TYK2MEN1LMNAHPGD
SCHEMBL3725541 0.86 FAAH (0.37) CCR5CLK1UBE2MDCUN1D1SMN1; SMN2
SCHEMBL3719962 0.85 NOD2 (0.37) LMNACCR5UBE2MDCUN1D1
SCHEMBL20504495 0.84 PDE1B (0.38) TYK2MEN1KMT2ACCR5UBE2M
SCHEMBL20504499 0.82 MAPT (0.39) MEN1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL3722334 0.79 CCNE1 (0.38) TYK2

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 MALT1 3384/4885TYK2 289/4885MEN1 2614/4885

“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.

Send feedback