SCHEMBL9955795

SCHEMBL9955795

CCCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
ALDH1A1 P00352 7/20 0.72
POLB P06746 5/20 0.72
LMNA P02545 1/20 0.72
HPGD P15428 4/20 0.71
HSD17B10 Q99714 4/20 0.71
CYP1A2 P05177 1/20 0.71
MAPT P10636 6/20 0.68
TP53 P04637 4/20 0.68
THRB P10828 2/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
RECQL P46063 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
GLA P06280 2/20 0.63
GAA P10253 2/20 0.63
RAB9A P51151 1/20 0.63
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL1494950 0.84 KDM4E (0.83) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL1494857 0.82 KDM4E (0.86) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL34462373 0.79 TP53 (0.81) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL23760315 0.79 KDM4E (1.00) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL1494629 0.79 KDM4E (0.75) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL1494751 0.79 TP53 (0.86) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL1494715 0.78 KDM4E (1.00) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL22403263 0.76 KDM4E (0.77) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL22403265 0.74 KDM4E (0.79) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL2740176 0.74 KDM4E (0.64) KDM4EALDH1A1POLBLMNAHPGD

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 6 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
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 disclosed
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 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 KDM4E 2693/4885ALDH1A1 334/4885POLB 958/4885

“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.