SCHEMBL16812356

SCHEMBL16812356

CCN(Cc1ccc(OC)cc1)c1cc(Cl)nn2c(C(=O)NC3CCC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 2/20 0.40
▸ TEAD4 Q15561 2/20 0.40
▸ HPGDS O60760 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16794701 0.90 YAP1 (0.41) YAP1TEAD4HPGDSLMNACXCR4
SCHEMBL16812491 0.88 YAP1 (0.43) YAP1TEAD4HPGDSLMNAALDH1A1
SCHEMBL16794653 0.86 CNR2 (0.41) YAP1TEAD4ALDH1A1POLBCNR2
SCHEMBL16794647 0.81 PDE1B (0.37) HPGDSCXCR4ALDH1A1MEN1KMT2A
SCHEMBL16812485 0.81 HPGDS (0.41) HPGDSCXCR4ALDH1A1MEN1KMT2A
SCHEMBL18143582 0.81 MEN1 (0.42) HPGDSLMNACXCR4ALDH1A1POLB
SCHEMBL16794720 0.80 HPGDS (0.45) HPGDSKMT2A
SCHEMBL16794721 0.80 HPGDS (0.45) HPGDSKMT2A
SCHEMBL16812489 0.80 HPGDS (0.45) HPGDSKMT2A
SCHEMBL31161788 0.78 TYK2 (0.37) CNR2CNR1

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 YAP1 4040/4885TEAD4 2078/4885HPGDS 2012/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 YAP1 3901/4885TEAD4 2070/4885HPGDS 2119/4885

“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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