Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956444

SCHEMBL9956444

SCHEMBL9956444

CCOC(=O)C=Cc1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ TP53 P04637 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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 0.90 HDAC1 (0.45) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL10284742 0.87 POLB (0.38) MAPTTP53ALDH1A1PIK3CGPOLB
SCHEMBL9956362 0.87 POLB (0.38) MAPTTP53ALDH1A1PIK3CGPOLB
SCHEMBL9957158 0.86 POLB (0.37) MAPTTP53ALDH1A1POLBKDM4E
SCHEMBL9956253 0.85 MAPT (0.43) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9956251 0.85 MAPT (0.43) MAPTTP53SMN1; SMN2HDAC3HDAC4
SCHEMBL9955085 0.84 MAPT (0.42) MAPTTP53SMN1; SMN2ALDH1A1HDAC3
SCHEMBL9955083 0.84 MAPT (0.42) MAPTTP53SMN1; SMN2ALDH1A1HDAC3
SCHEMBL9957134 0.83 MAPT (0.41) MAPTTP53SMN1; SMN2PIK3CDPIK3CG
SCHEMBL9956317 0.82 CYP3A4 (0.38) MAPTTP53ALDH1A1POLBKDM4E

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 4038/4885TP53 10/4885SMN1; SMN2 1880/4885

“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.