SCHEMBL9955843

SCHEMBL9955843

CN1CCC(Oc2ccc3nc(-c4ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c4)cn3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.40
KDR P35968 1/20 0.39
RBP4 P02753 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
HTR1F P30939 1/20 0.37
CSNK1D P48730 5/20 0.36
CSNK1E P49674 5/20 0.36
MET P08581 1/20 0.35
TDO2 P48775 1/20 0.35
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
WNT1 P04628 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL9956302 0.93 KDR (0.41) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL9955120 0.92 KDR (0.40) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL9957101 0.91 WDR5 (0.42) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL9957635 0.85 KDR (0.39) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL17328320 0.85 KDR (0.39) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL9956520 0.85 KDR (0.39) WDR5KDRRBP4RXFP1CSNK1D
SCHEMBL9957558 0.84 RBP4 (0.44) KDRRBP4RXFP1CSNK1DCSNK1E
SCHEMBL9957086 0.82 WDR5 (0.40) WDR5RBP4RXFP1CSNK1DCSNK1E
SCHEMBL9956844 0.82 RXFP1 (0.43) KDRRXFP1CSNK1DCSNK1EKDM4E
SCHEMBL9956979 0.82 RXFP1 (0.41) KDRRBP4RXFP1CSNK1DCSNK1E

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 WDR5 3430/4885KDR 1625/4885RBP4 4304/4885

“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.