SCHEMBL21959619

SCHEMBL21959619

CCc1nc2ccn(C)c2nc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.35
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21959623 0.76 PDE10A (0.32) PDE10AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL20673873 0.74 KDM4E (0.33) KDM4E
SCHEMBL18805405 0.72 KDM4E (0.33) MAPK1KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL3735430 0.69 LMNA (0.53) PDE10AMAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL19700126 0.68
SCHEMBL23937882 0.68 GRM1 (0.36) MAPK1RAB9A
SCHEMBL23937773 0.68 BRD9 (0.33) PDE10A
SCHEMBL10393962 0.66 MAPK1 (0.34) MAPK1
SCHEMBL15426759 0.66 KDM4E (0.36) MAPK1KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL23132775 0.66 NOTUM (0.48) KDM4E

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 PDE10A 2794/4885MAPK1 248/4885KDM4E 1912/4885

“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.