SCHEMBL16812354

SCHEMBL16812354

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CLK1 P49759 2/20 0.38
▸ NR3C1 P04150 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE1B Q01064 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CACNA1H O95180 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
SCHEMBL16812493 0.90 NR3C1 (0.39) SMN1; SMN2TP53CLK1NR3C1MEN1
SCHEMBL16812355 0.90 ALDH1A1 (0.39) CDK5CDK5R1SMN1; SMN2NR3C1MEN1
SCHEMBL16812352 0.88 PDE1B (0.38) HPGDSMN1; SMN2NR3C1MEN1KMT2A
SCHEMBL16812482 0.88 NPC1 (0.40) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL16812486 0.88 NPC1 (0.40) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL16794695 0.85 TYK2 (0.44) CLK1NR3C1MEN1KMT2APDE1B
SCHEMBL16794714 0.85 TYK2 (0.49) CLK1NR3C1MEN1KMT2APDE1B
SCHEMBL18161034 0.85 PDE1B (0.41) SMN1; SMN2NR3C1MEN1KMT2APDE1B
SCHEMBL16794676 0.85 PDE1B (0.40) SMN1; SMN2NPC1RAB9ANR3C1MEN1
SCHEMBL20557571 0.85 TYK2 (0.46) CLK1NR3C1MEN1KMT2APDE1B

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 CDK5 1098/4885CDK5R1 891/4885HPGD 2781/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 CDK5 1089/4885CDK5R1 935/4885HPGD 2849/4885

“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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