SCHEMBL16812491

SCHEMBL16812491

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CCCC4)cnc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 2/20 0.43
▸ TEAD4 Q15561 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGDS O60760 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ F10 P00742 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ THRB P10828 1/20 0.40

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 0.98 YAP1 (0.41) YAP1TEAD4POLBLMNAEPHX2
SCHEMBL16794653 0.97 CNR2 (0.41) YAP1TEAD4POLBALDH1A1F10
SCHEMBL16812485 0.91 HPGDS (0.41) ALDH1A1KMT2AMEN1HPGDSF10
SCHEMBL16794647 0.91 PDE1B (0.37) ALDH1A1KMT2AMEN1HPGDSF10
SCHEMBL16794720 0.90 HPGDS (0.45) KMT2AHPGDSF10
SCHEMBL16794721 0.90 HPGDS (0.45) KMT2AHPGDSF10
SCHEMBL16812489 0.90 HPGDS (0.45) KMT2AHPGDSF10
SCHEMBL16812356 0.88 YAP1 (0.40) YAP1TEAD4POLBLMNAEPHX2
SCHEMBL31161333 0.88 SSTR3 (0.35) LMNAALDH1A1KMT2ANPSR1MEN1
SCHEMBL31161788 0.88 TYK2 (0.37) F10CNR1

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 2078/4885POLB 2551/4885
US-10273237-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN-α responses TYK2, IFNG, IFNAR1 YAP1 3901/4885TEAD4 2070/4885POLB 2672/4885

“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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