SCHEMBL10277350

SCHEMBL10277350

Fc1ccc(CN2CCN(c3ccc4nc(-c5ccc(F)cc5)c(Br)n4n3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.60
KCNH2 Q12809 2/20 0.60
DPP4 P27487 2/20 0.55
HSD17B10 Q99714 1/20 0.46
PIM1 P11309 2/20 0.45
CSNK1E P49674 3/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 3/20 0.42
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9955926 0.84 AR (0.57) ARKCNH2DPP4HSD17B10PIM1
SCHEMBL9956970 0.83 DPP4 (0.58) ARKCNH2DPP4HSD17B10KDM4E
SCHEMBL9956561 0.82 DPP4 (0.63) ARKCNH2DPP4HSD17B10PIM1
SCHEMBL3356219 0.76 CSNK1E (0.50) ARKCNH2DPP4CSNK1EDRD2
SCHEMBL2262726 0.75 AR (1.00) ARKCNH2DPP4HSD17B10PIM1
SCHEMBL2263330 0.72 AR (0.92) ARKCNH2DPP4HSD17B10PIM1
SCHEMBL1394316 0.71 MAPK14 (0.49) ARKCNH2DPP4CSNK1EDRD2
SCHEMBL3106544 0.71 CSNK1E (0.66) CSNK1E
SCHEMBL9956616 0.70 DPP4 (0.49) ARKCNH2DPP4KDM4ESMN1; SMN2
SCHEMBL2269097 0.70 AR (0.88) ARKCNH2DPP4HSD17B10PIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 AR 335/4885KCNH2 584/4885DPP4 2986/4885

“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.