SCHEMBL9956467

SCHEMBL9956467

COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(/C=C/C(=O)NO)c4)c3)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
HDAC4 P56524 2/20 0.44
MEF2D Q14814 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC3 O15379 2/20 0.43
KDR P35968 6/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 2/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
BCR P11274 1/20 0.39
HDAC7 Q8WUI4 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
SCHEMBL9956469 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956476 0.89 HDAC4 (0.45) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956470 0.89 HDAC4 (0.45) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9955666 0.85 TTK (0.51) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956342 0.84 HDAC1 (0.49) HDAC4HDAC1HDAC3MAPTHDAC8
SCHEMBL9956344 0.84 HDAC1 (0.49) HDAC4HDAC1HDAC3MAPTHDAC8
SCHEMBL9955610 0.84 HDAC4 (0.42) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL10277189 0.84 HDAC4 (0.42) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9957534 0.82 KIT (0.51) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL9956529 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EGLAGAALMNA

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 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.