SCHEMBL9956529

SCHEMBL9956529

Cc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1NC(=O)c1cccc(/C=C/C(=O)NO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 3/20 0.40
HDAC4 P56524 2/20 0.40
MEF2D Q14814 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CSNK1D P48730 7/20 0.38
CSNK1E P49674 7/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
ABL1 P00519 1/20 0.38
PDGFRB P09619 1/20 0.38
BCR P11274 1/20 0.38
KDR P35968 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 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
SCHEMBL9956531 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10277392 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10277391 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956285 0.92 HDAC4 (0.39) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956287 0.92 HDAC4 (0.39) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10308715 0.91 POLB (0.41) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10277070 0.91 POLB (0.41) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10277229 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956350 0.86 HDAC1 (0.43) HDAC4MAPTHDAC3HDAC1HDAC7
SCHEMBL9956346 0.86 HDAC1 (0.43) HDAC4MAPTHDAC3HDAC1HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8871767-B2 2-arylimidazo[1,2-B]pyridazine, 2-phenylimidazo[1,2-A]pyridine, and 2-phenylimidazo[1,2-A]pyrazine derivatives HENGRUI (USA) LTD. (US) 2014-10-28 US claimed
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

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 ALDH1A1 334/4885KDM4E 2693/4885GLA 1459/4885

“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.