SCHEMBL16812480

SCHEMBL16812480

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC4(CO)CC4)cnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ NR3C1 P04150 4/20 0.35
▸ CLK1 P49759 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ PDE4D Q08499 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
SCHEMBL16812493 0.86 NR3C1 (0.39) NR3C1CLK1MEN1KMT2AALDH1A1
SCHEMBL16794609 0.86 NPC1 (0.43) KCNH2NR3C1CLK1MEN1KMT2A
SCHEMBL16812352 0.84 PDE1B (0.38) NR3C1MEN1KMT2AALDH1A1PDE1B
SCHEMBL16812354 0.84 CDK5 (0.39) NR3C1CLK1MEN1KMT2APDE1B
SCHEMBL16794714 0.84 TYK2 (0.49) NR3C1CLK1MEN1KMT2APDE1B
SCHEMBL16794695 0.84 TYK2 (0.44) NR3C1CLK1MEN1KMT2APDE1B
SCHEMBL16812355 0.83 ALDH1A1 (0.39) NR3C1MEN1KMT2AALDH1A1PDE1B
SCHEMBL20557570 0.83 TYK2 (0.46) NR3C1CLK1MEN1KMT2APDE1B
SCHEMBL20557571 0.83 TYK2 (0.46) NR3C1CLK1MEN1KMT2APDE1B
SCHEMBL16812479 0.83 TYK2 (0.40) NR3C1CLK1MEN1KMT2AALDH1A1

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 JAK1 6/4885KCNH2 2116/4885NR3C1 854/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 JAK1 6/4885KCNH2 2228/4885NR3C1 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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