SCHEMBL3770902

SCHEMBL3770902

COc1ccc(CN(c2ccc(C)cn2)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.37
▸ PDE1B Q01064 7/20 0.36
▸ NR3C1 P04150 3/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ TSPO P30536 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ MAPT P10636 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
SCHEMBL3730213 0.86 TYK2 (0.40) NR3C1
SCHEMBL3017547 0.85 BCL2A1 (0.40) CCR2PDE1BNR3C1MAPT
SCHEMBL16794676 0.83 PDE1B (0.40) CCR2PDE1BNR3C1PTPN1
SCHEMBL29754326 0.81 PTPN1 (0.38) CCR2PDE1BNR3C1PTPN1
SCHEMBL26102728 0.80 MAPT (0.41) CCR2PDE1BNR3C1PTPN1MAPT
SCHEMBL3720418 0.80 PDE1B (0.33) PDE1BAPLNRMAPT
SCHEMBL3021969 0.79 BCL2A1 (0.39) PDE1BNR3C1MAPT
SCHEMBL12012890 0.76 PDE1B (0.34) PDE1BMAPT
SCHEMBL3314096 0.76 PDE1B (0.34) PDE1BMAPT
SCHEMBL18161034 0.76 PDE1B (0.41) PDE1BNR3C1TSPOPTPN1

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-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

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 CCR2 3959/4885PDE1B 1216/4885NR3C1 3628/4885

“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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