SCHEMBL9956535

SCHEMBL9956535

Cc1ccc(-c2cn3nc(-c4cccc(C(=O)Nc5ccccc5N)c4)ccc3n2)cc1NC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.42
TTK P33981 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 2/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 8/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RIPK1 Q13546 1/20 0.40
PIK3CG P48736 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL9956517 0.94 HDAC1 (0.45) TTKPOLBHDAC1MAPTRXFP1
SCHEMBL9957095 0.88 PIK3CG (0.52) TTKKDM4EALDH1A1LMNAGLA
SCHEMBL9955529 0.88 PIK3CG (0.43) TTKKDM4EALDH1A1LMNAGLA
SCHEMBL9956786 0.87 CSNK1D (0.42) TTKKDM4EALDH1A1LMNAGLA
SCHEMBL9957320 0.86 AURKA (0.47) TTKCSNK1DCSNK1EMAPTRIPK1
SCHEMBL9957330 0.85 MAPT (0.43) TTKKDM4EALDH1A1LMNAGLA
SCHEMBL9956797 0.84 HDAC1 (0.49) HDAC2HDAC1HDAC3
SCHEMBL9956458 0.83 CSNK1D (0.42) TTKLMNACSNK1DCSNK1EMAPT
SCHEMBL9957147 0.83 CSNK1D (0.44) LMNACSNK1DCSNK1EMAPTRXFP1
SCHEMBL9956586 0.82 CSNK1D (0.41) HDAC2TTKLMNACSNK1DCSNK1E

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 HDAC2 189/4885TTK 3789/4885KDM4E 2693/4885

“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.