SCHEMBL9956970

SCHEMBL9956970

Fc1ccc(CN2CCN(c3ccc4nc(-c5ccccc5)c(Cl)n4n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.58
AR P10275 2/20 0.55
KCNH2 Q12809 2/20 0.55
KDM4E B2RXH2 1/20 0.44
SLC2A1 P11166 2/20 0.44
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
DRD2 P14416 3/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 3/20 0.42
HTR2A P28223 2/20 0.42
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 2/20 0.41
HTR7 P34969 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL9956561 0.88 DPP4 (0.63) DPP4ARKCNH2KDM4ESLC2A1
SCHEMBL10277350 0.83 AR (0.60) DPP4ARKCNH2KDM4EDRD4
SCHEMBL9955926 0.80 AR (0.57) DPP4ARKCNH2KDM4EDRD4
SCHEMBL3356219 0.79 CSNK1E (0.50) DPP4ARKCNH2DRD4DRD3
SCHEMBL9955687 0.77 DPP4 (0.56) DPP4ARKCNH2KDM4EALDH1A1
SCHEMBL9955537 0.75 DPP4 (0.50) DPP4ARKCNH2DRD4DRD2
SCHEMBL9956616 0.75 DPP4 (0.49) DPP4ARKCNH2KDM4ESLC2A1
SCHEMBL1394316 0.73 MAPK14 (0.49) DPP4ARKCNH2DRD4DRD3
SCHEMBL9957453 0.72 DPP4 (0.53) DPP4KDM4EDRD4DRD3DRD2
SCHEMBL30725789 0.72 NPC1 (0.58) KDM4EDRD4DRD3DRD2HTR1A

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

“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.