SCHEMBL20249388

SCHEMBL20249388

CNC(=O)N1CCc2nc(C(C)(C)C)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
ENPP2 Q13822 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
NTRK1 P04629 1/20 0.38
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 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
SCHEMBL28974312 0.85 NOTUM (0.39) PDGFRBENPP2MAPTHDAC8HDAC6
SCHEMBL18806154 0.84 NOTUM (0.41) PDGFRBENPP2MAPTHDAC8HDAC6
SCHEMBL18819906 0.82 CDK6 (0.40) ENPP2RAB9ANPC1ALDH1A1GABRG2
SCHEMBL18806197 0.82 GABRG2 (0.48) ENPP2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20255470 0.81 PDGFRB (0.40) PDGFRBENPP2RAB9ASMN1; SMN2NPC1
SCHEMBL20037473 0.81 PDGFRB (0.40) PDGFRBENPP2RAB9ASMN1; SMN2NPC1
SCHEMBL20249401 0.79 KDM4E (0.52) TP53ALDH1A1MAPTGABRG2GABRB3
SCHEMBL20249374 0.79 DPP7 (0.47)
SCHEMBL4208644 0.78 NOTUM (0.36) ENPP2KCNA1KCNAB1MAPTHDAC8
SCHEMBL20249383 0.76 GABRG2 (0.42) SMN1; SMN2ALDH1A1MAPTHPGDHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 PDGFRB 730/4885ENPP2 4413/4885RAB9A 2154/4885

“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.