SCHEMBL20249184

SCHEMBL20249184

CC(C)(C)c1ccc(NC(=O)CCO)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GFER P55789 1/20 0.44
TRPV1 Q8NER1 6/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 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
SCHEMBL17591351 0.84 ATM (0.54) SMN1; SMN2TRPV1NPC1RAB9AMAPT
SCHEMBL15498258 0.81 POLB (0.45) SMN1; SMN2GFERTRPV1NPC1RAB9A
SCHEMBL20037624 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL15221722 0.79 TDP1 (0.50) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL23213553 0.79 P4HTM (0.45) SMN1; SMN2TRPV1NPC1RAB9AMAPT
SCHEMBL2611229 0.78 L3MBTL1 (0.60) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12091529 0.76 TRPV1 (0.43) SMN1; SMN2TRPV1NPC1RAB9AMAPT
SCHEMBL20037623 0.76 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL18291583 0.76 SMN1; SMN2 (0.48) SMN1; SMN2TRPV1NPC1RAB9AMAPT
SCHEMBL31363779 0.74 NAMPT (0.51) CA12CA1CA9

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 SMN1; SMN2 1690/4885GFER 4611/4885TRPV1 3672/4885

“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.