SCHEMBL16812355

SCHEMBL16812355

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ PDE1B Q01064 5/20 0.37
▸ NR3C1 P04150 4/20 0.37
▸ PTGES O14684 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ PDE2A O00408 1/20 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
SCHEMBL16812482 0.94 NPC1 (0.40) ALDH1A1PDE1BNR3C1MEN1KMT2A
SCHEMBL16812486 0.94 NPC1 (0.40) ALDH1A1PDE1BNR3C1MEN1KMT2A
SCHEMBL16812352 0.91 PDE1B (0.38) ALDH1A1PDE1BNR3C1MEN1KMT2A
SCHEMBL16812354 0.90 CDK5 (0.39) PDE1BNR3C1CDK5CDK5R1MEN1
SCHEMBL16812493 0.89 NR3C1 (0.39) ALDH1A1PDE1BNR3C1MEN1KMT2A
SCHEMBL18161034 0.88 PDE1B (0.41) ALDH1A1PDE1BNR3C1MEN1KMT2A
SCHEMBL16794676 0.88 PDE1B (0.40) ALDH1A1PDE1BNR3C1PTGESMEN1
SCHEMBL16794701 0.87 YAP1 (0.41) ALDH1A1PDE1BMEN1KMT2ATYK2
SCHEMBL16812491 0.87 YAP1 (0.43) ALDH1A1MEN1KMT2AHPGDSSMN1; SMN2
SCHEMBL24263381 0.87 PDE1B (0.39) ALDH1A1PDE1BNR3C1MEN1KMT2A

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-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-30 — — US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 — — US disclosed
WO-2015089143-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 — — 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 (2 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-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 ALDH1A1 3902/4885PDE1B 1789/4885NR3C1 854/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 ALDH1A1 3863/4885PDE1B 1989/4885NR3C1 884/4885

“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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