SCHEMBL3434342

SCHEMBL3434342

Cc1cnc(N2CCN(CC(N)=O)CC2)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
OPRK1 P41145 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3436557 0.88 MEN1 (0.46) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3434498 0.84 SMN1; SMN2 (0.47) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3435704 0.84 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL3434295 0.84 CYP1A2 (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3435982 0.81 ALDH1A1 (0.45) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL20524610 0.79 SMO (0.38) MEN1KMT2AALDH1A1MAPTOPRK1
SCHEMBL20888096 0.79 ALDH1A1 (0.48) KMT2APOLBALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL3436532 0.77 CHRM1 (0.45) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3436558 0.77 KMT2A (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3436553 0.77 SMN1; SMN2 (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MEN1 4778/4885KMT2A 1707/4885POLB 4512/4885

“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.