SCHEMBL9956501

SCHEMBL9956501

COc1cc(CNc2ccc3nc(-c4ccc(C)c(NC(=O)C(C)(C)C)c4)cn3n2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
BRAF P15056 1/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 6/20 0.40
HDAC1 Q13547 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37

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 0.87 KMT2A (0.40) ALDH1A1KDM4ERAB9ATP53MAPT
SCHEMBL9957199 0.86 CSNK1D (0.38) ALDH1A1KDM4EGAAGLATP53
SCHEMBL9956012 0.84 HDAC8 (0.43) ALDH1A1KDM4EGAAGLAHDAC1
SCHEMBL9956845 0.81 MAPT (0.42) ALDH1A1KDM4ERAB9AGAAGLA
SCHEMBL9956797 0.79 HDAC1 (0.49) HDAC1
SCHEMBL9956553 0.79 HDAC4 (0.44) HDAC1
SCHEMBL9957471 0.77 MAPT (0.44) ALDH1A1KDM4EGAAGLATP53
SCHEMBL9955992 0.77 CSNK1D (0.41) ALDH1A1KDM4EGAAGLATP53
SCHEMBL9956009 0.76 KDR (0.37) RAB9ABRAFNPC1
SCHEMBL9957152 0.76 MAPT (0.40) ALDH1A1KDM4ERAB9AGAAGLA

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 11 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
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-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-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
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
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 ALDH1A1 334/4885KDM4E 2693/4885RAB9A 3019/4885

“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.