SCHEMBL3719962

SCHEMBL3719962

COc1ccc(CN(c2cc(Cl)nn3c(C(=O)Nc4ccncc4F)cnc23)C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.37
▸ CCR5 P51681 8/20 0.36
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ KLKB1 P03952 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
SCHEMBL3721792 0.87 NOD2 (0.39) NOD2ABCB1HDAC1
SCHEMBL3725541 0.87 FAAH (0.37) CCR5UBE2MDCUN1D1KCNH2
SCHEMBL3720201 0.86 CCNE1 (0.38) HDAC1GSK3AGSK3BROCK2KLKB1
SCHEMBL3721600 0.86 CCNE1 (0.38) HDAC1GSK3AGSK3BROCK2KLKB1
SCHEMBL3720947 0.86 NR3C1 (0.35) CCR5UBE2MDCUN1D1LMNA
SCHEMBL3716735 0.86 TYK2 (0.34) CCR5TRPV1
SCHEMBL3716732 0.86 TYK2 (0.34) CCR5TRPV1
SCHEMBL13745149 0.85 PIK3CA (0.36) TRPV1
SCHEMBL13013622 0.85 PIK3CA (0.36) TRPV1
SCHEMBL3723311 0.85 MALT1 (0.37) CCR5UBE2MDCUN1D1LMNA

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 NOD2 3749/4885CCR5 3896/4885UBE2M 2501/4885

“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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