SCHEMBL20249278

SCHEMBL20249278

CNC(=O)CNc1ccc(C(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 5/20 0.40
CA7 P43166 4/20 0.40
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.37
SYK P43405 1/20 0.37
PRMT3 O60678 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 5/20 0.35
GRK2 P25098 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
NLRP1 Q9C000 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL20038016 0.80 NPSR1 (0.42) POLBSYKPRMT3MALT1NPSR1
SCHEMBL20038015 0.78 SYK (0.38) CA1CA2CA12CA7POLB
SCHEMBL15221722 0.76 TDP1 (0.50) CA1CA2CA12CA7POLB
SCHEMBL17591351 0.75 ATM (0.54) CA1CA2CA12TRPV1ATM
SCHEMBL24124016 0.74 MAPT (0.39) CA1CA2TRPV1ALDH1A1MAPT
SCHEMBL20249423 0.73 CA12 (0.41) CA1CA2CA12CA7TRPV1
SCHEMBL19513461 0.73 POLB (0.59) CA1CA2CA12CA7POLB
SCHEMBL20249184 0.73 SMN1; SMN2 (0.48) CA1CA2CA12TRPV1POLB
SCHEMBL14283237 0.73 CA12 (0.38) CA1CA2CA12TRPV1POLB
SCHEMBL23213553 0.72 P4HTM (0.45) CA1CA2CA12CA7TRPV1

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 2 patents. 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
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 CA1 4753/4885CA2 2465/4885CA12 4577/4885

“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.