Sugi Predict

Sugi Predict / Compounds / SCHEMBL9957134

SCHEMBL9957134

SCHEMBL9957134

Cc1ccc(-c2cn3nc(NS(=O)(=O)c4cccc(Br)c4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ EDNRA P25101 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 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
SCHEMBL9956640 0.87 HDAC1 (0.45) MAPTSMN1; SMN2TP53
SCHEMBL9956176 0.84 GRM5 (0.43) MAPTTP53PIK3CGRXFP1CSNK1D
SCHEMBL9956444 0.83 MAPT (0.37) MAPTSMN1; SMN2TP53PIK3CDPIK3CG
SCHEMBL9956573 0.78 ALDH1A1 (0.50) MAPTTP53PIK3CDPIK3CGRXFP1
SCHEMBL9956235 0.76 CSNK1D (0.42) MAPTTP53RXFP1CSNK1DCSNK1E
SCHEMBL9957106 0.76 BLM (0.42) MAPTSMN1; SMN2TP53PIK3CDPIK3CG
SCHEMBL9957471 0.76 MAPT (0.44) MAPTSMN1; SMN2TP53PIK3CDPIK3CG
SCHEMBL9955992 0.76 CSNK1D (0.41) MAPTSMN1; SMN2TP53PIK3CDPIK3CG
SCHEMBL9956458 0.76 CSNK1D (0.42) MAPTCSNK1DCSNK1ELMNA
SCHEMBL9956786 0.76 CSNK1D (0.42) MAPTPIK3CGCSNK1DCSNK1EKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 — — EP claimed
US-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI (USA), LTD. 2012-07-12 — — US claimed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 — — WO claimed
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 — — EP 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 (1 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-20120178751-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PRXL2A, CDK2, CCNA2 MAPT 4038/4885SMN1; SMN2 1880/4885TP53 10/4885

“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.