SCHEMBL3434282

SCHEMBL3434282

NC(=O)CN1CCN(c2ncccc2N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
CFTR P13569 2/20 0.44
P2RX7 Q99572 1/20 0.44
CHIA Q9BZP6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 2/20 0.42
MALT1 Q9UDY8 2/20 0.42
KMT2A Q03164 1/20 0.41
MDM2 Q00987 1/20 0.40
RECQL P46063 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
SCHEMBL3434300 0.95 P2RX7 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3436405 0.84 TRPV1 (0.50) CFTRP2RX7CHIAHSD11B1KMT2A
SCHEMBL4395581 0.81 HSD11B1 (0.62) ALDH1A1HSD11B1
SCHEMBL4401487 0.81 ALDH1A1 (0.50) CFTRKDM4EALDH1A1SMN1; SMN2MALT1
SCHEMBL7241999 0.81 KDM4E (0.64) KDM4EALDH1A1HSD11B1RECQL
SCHEMBL3436525 0.80 P2RX7 (0.49) CFTRP2RX7CHIAHSD11B1KMT2A
SCHEMBL3435028 0.80 CYP1A2 (0.63) ALDH1A1SMN1; SMN2HSD11B1KMT2A
SCHEMBL27869443 0.79 CHIA (0.49) CFTRP2RX7CHIAKDM4EALDH1A1
SCHEMBL4406529 0.79 ALDH1A1 (0.60) KDM4EALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL4405017 0.77 THRB (0.65) KDM4EALDH1A1TSHRSMN1; SMN2KMT2A

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
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

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 GRIN2D 3357/4885GRIN3B 2621/4885GRIN1 2284/4885

“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.