SCHEMBL16812485

SCHEMBL16812485

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC(O)C4)cnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ CXCR4 P61073 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PDE1B Q01064 4/20 0.35
▸ NAAA Q02083 2/20 0.35
▸ NR3C1 P04150 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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
SCHEMBL16794653 0.92 CNR2 (0.41) F10MCHR1CNR2CNR1ALDH1A1
SCHEMBL16794701 0.91 YAP1 (0.41) HPGDSMEN1KMT2AF10CXCR4
SCHEMBL16812491 0.91 YAP1 (0.43) HPGDSMEN1KMT2AF10CNR1
SCHEMBL16794647 0.90 PDE1B (0.37) HPGDSMEN1KMT2AF10CXCR4
SCHEMBL16794641 0.88 TYK2 (0.40) MEN1KMT2AF10KAT8CNR2
SCHEMBL16812488 0.88 TYK2 (0.40) MEN1KMT2AF10KAT8CNR2
SCHEMBL16794640 0.88 TYK2 (0.40) MEN1KMT2AF10KAT8CNR2
SCHEMBL26101957 0.88 TYK2 (0.40) MEN1KMT2AF10KAT8CNR2
SCHEMBL16794720 0.87 HPGDS (0.45) HPGDSKMT2AF10PDE1B
SCHEMBL16812489 0.87 HPGDS (0.45) HPGDSKMT2AF10PDE1B

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 HPGDS 2012/4885MEN1 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 HPGDS 2119/4885MEN1 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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