Sugi Predict

Sugi Predict / Compounds / SCHEMBL9956012

SCHEMBL9956012

SCHEMBL9956012

Cc1ccc(-c2cn3nc(NCc4ccc(C(=O)NO)cc4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.43
▸ HDAC6 Q9UBN7 6/20 0.40
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC3 O15379 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CSNK1D P48730 2/20 0.36
▸ CSNK1E P49674 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL9955295 0.90 KMT2A (0.40) KDM4EALDH1A1CSNK1DCSNK1EPOLB
SCHEMBL9957199 0.90 CSNK1D (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9956797 0.89 HDAC1 (0.49) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL9956960 0.86 CSNK1D (0.42) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL9956009 0.84 KDR (0.37) IKBKBKDRMAPK14SMOJAK2
SCHEMBL9956501 0.84 ALDH1A1 (0.43) HDAC1KDM4EALDH1A1GLAGAA
SCHEMBL9956553 0.82 HDAC4 (0.44) HDAC8HDAC6HDAC1HDAC4
SCHEMBL9955529 0.81 PIK3CG (0.43) HDAC8HDAC6HDAC1KDM4EALDH1A1
SCHEMBL9956631 0.79 PIK3CG (0.42) ALDH1A1CSNK1DCSNK1EPOLBMAPK14
SCHEMBL9956176 0.78 GRM5 (0.43) KDM4EALDH1A1GLAGAAHPGD

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 HDAC8 1832/4885HDAC6 1135/4885HDAC1 315/4885

“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.