Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956640

SCHEMBL9956640

SCHEMBL9956640

Cc1ccc(-c2cn3nc(NS(=O)(=O)c4cccc(C=CC(=O)NO)c4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.45
▸ HDAC8 Q9BY41 19/20 0.45
▸ HDAC2 Q92769 17/20 0.45
▸ HDAC6 Q9UBN7 17/20 0.45
▸ HDAC3 O15379 15/20 0.45
▸ HDAC4 P56524 15/20 0.45
▸ HDAC7 Q8WUI4 15/20 0.45
▸ HDAC10 Q969S8 15/20 0.45
▸ HDAC11 Q96DB2 15/20 0.45
▸ HDAC9 Q9UKV0 15/20 0.45
▸ HDAC5 Q9UQL6 15/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ASPH Q12797 1/20 0.43
▸ TP53 P04637 1/20 0.38

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
SCHEMBL9956444 0.90 MAPT (0.37) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9957134 0.87 MAPT (0.41) TP53MAPTSMN1; SMN2
SCHEMBL9955610 0.86 HDAC4 (0.42) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL10277189 0.86 HDAC4 (0.42) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9955801 0.85 HDAC1 (0.44) HDAC1HDAC8HDAC2HDAC6
SCHEMBL9956553 0.85 HDAC4 (0.44) HDAC1HDAC8HDAC6HDAC4
SCHEMBL9957589 0.83 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9957586 0.83 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9956344 0.82 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9956342 0.82 HDAC1 (0.49) HDAC1HDAC8HDAC2HDAC6HDAC3

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 HDAC1 315/4885HDAC8 1832/4885HDAC2 189/4885

“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.