SCHEMBL9960950

SCHEMBL9960950

COc1ccc2nc(-c3ccc(C)c([N+](=O)[O-])c3)c(-c3ccc(F)cc3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.43
AKT2 P31751 3/20 0.43
TXNRD1 Q16881 1/20 0.38
ERN1 O75460 2/20 0.35
PTGS2 P35354 2/20 0.35
CSNK1E P49674 4/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGS1 P23219 1/20 0.34
CHEK2 O96017 2/20 0.34
RPS6KA3 P51812 2/20 0.34
S1PR1 P21453 1/20 0.34
GRK6 P43250 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL10276961 0.83 ERN1 (0.38) AKT1AKT2TXNRD1ERN1KDM4E
SCHEMBL10277065 0.83 CHEK2 (0.38) AKT1AKT2TXNRD1ERN1KDM4E
SCHEMBL10277033 0.82 AKT1 (0.48) AKT1AKT2PTGS2CSNK1EKDM4E
SCHEMBL9956643 0.76 CSNK1D (0.42) AKT1AKT2CSNK1EKDM4EALDH1A1
SCHEMBL10277110 0.73 RAB9A (0.48) ERN1KDM4EALDH1A1GAAMAPT
SCHEMBL10277145 0.70 CHEK2 (0.40) CHEK2RPS6KA3S1PR1GRK6ALDH1A1
SCHEMBL20364812 0.69 ALDH1A1 (0.53) GRK6ALDH1A1MAPT
SCHEMBL13166512 0.67 ERN1 (0.60) ERN1ALDH1A1MAPT
SCHEMBL10284988 0.66 AKT1 (0.41) AKT1AKT2KDM4EALDH1A1MAPT
SCHEMBL5270801 0.66 AKT1 (0.43) AKT1AKT2PTGS2KDM4EPTGS1

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-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
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 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
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 disclosed
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 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 AKT1 3124/4885AKT2 1787/4885TXNRD1 2131/4885

“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.