SCHEMBL16812493

SCHEMBL16812493

CCNC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CLK1 P49759 4/20 0.37
▸ PDE1B Q01064 3/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CACNA1G O43497 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
SCHEMBL16812352 0.91 PDE1B (0.38) NR3C1MEN1KMT2APDE1BSMN1; SMN2
SCHEMBL16812354 0.90 CDK5 (0.39) NR3C1MEN1KMT2ACLK1PDE1B
SCHEMBL16812355 0.89 ALDH1A1 (0.39) NR3C1MEN1KMT2APDE1BHPGDS
SCHEMBL16812486 0.88 NPC1 (0.40) NR3C1MEN1KMT2APDE1BSMN1; SMN2
SCHEMBL16812482 0.88 NPC1 (0.40) NR3C1MEN1KMT2APDE1BSMN1; SMN2
SCHEMBL16794695 0.88 TYK2 (0.44) NR3C1MEN1KMT2ACLK1PDE1B
SCHEMBL16794714 0.88 TYK2 (0.49) NR3C1MEN1KMT2ACLK1PDE1B
SCHEMBL18161034 0.88 PDE1B (0.41) NR3C1MEN1KMT2APDE1BSMN1; SMN2
SCHEMBL16794676 0.88 PDE1B (0.40) NR3C1MEN1KMT2APDE1BSMN1; SMN2
SCHEMBL20557570 0.87 TYK2 (0.46) NR3C1MEN1KMT2ACLK1PDE1B

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 NR3C1 854/4885MEN1 3841/4885KMT2A 1271/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 NR3C1 884/4885MEN1 3906/4885KMT2A 1273/4885

“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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