Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956560

SCHEMBL9956560

SCHEMBL9956560

Cc1ccc(-c2cn3nc(-c4ccc(OCCCCCC(=O)NO)cc4C(F)(F)F)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.38
▸ TOP1 P11387 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ HDAC6 Q9UBN7 8/20 0.36
▸ HDAC2 Q92769 5/20 0.36
▸ HDAC3 O15379 4/20 0.36
▸ HDAC4 P56524 4/20 0.36
▸ HDAC7 Q8WUI4 4/20 0.36
▸ HDAC10 Q969S8 4/20 0.36
▸ HDAC11 Q96DB2 4/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC9 Q9UKV0 4/20 0.36
▸ HDAC5 Q9UQL6 4/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 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
SCHEMBL9957125 1.00 HDAC1 (0.38) HDAC1TOP1MAPTHDAC6HDAC2
SCHEMBL9956364 0.99 MAPT (0.37) HDAC1TOP1MAPTHDAC6HDAC2
SCHEMBL9955790 0.91 PDK2 (0.38) MAPTCSNK1DCSNK1ERXFP1S1PR1
SCHEMBL9956649 0.91 PDK2 (0.38) MAPTCSNK1DCSNK1ERXFP1S1PR1
SCHEMBL9956906 0.91 MAPT (0.39) MAPTCSNK1DCSNK1ERXFP1LMNA
SCHEMBL9955468 0.90 PDK2 (0.38) MAPTCSNK1DCSNK1ERXFP1S1PR1
SCHEMBL9956711 0.90 HDAC1 (0.38) HDAC1MAPTHDAC6HDAC2HDAC3
SCHEMBL10277116 0.89 PDK2 (0.36) MAPTCSNK1DCSNK1ERXFP1S1PR1
SCHEMBL9955744 0.89 HDAC1 (0.39) HDAC1MAPTHDAC6HDAC2HDAC3
SCHEMBL10277200 0.88 PDK2 (0.37) MAPTCSNK1DCSNK1ERXFP1LMNA

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 315/4885TOP1 260/4885MAPT 4038/4885

“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.