SCHEMBL14891306

SCHEMBL14891306

Clc1nc(Nc2ccccc2)c2ncccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.48
GRM4 Q14833 1/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.46
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 3/20 0.44
DHODH Q02127 1/20 0.43
NPY5R Q15761 2/20 0.42
BCL6 P41182 1/20 0.42
DYRK1A Q13627 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL20568776 0.87 GRM4 (0.51) GRM4MEN1MAPTMAPK1KMT2A
SCHEMBL22872906 0.83 MAPT (0.51) MEN1MAPTMAPK1KMT2AKDM4E
SCHEMBL22412139 0.83 CDK2 (0.54) GRM4MEN1KMT2ANFKB1KDM4E
SCHEMBL22872903 0.81 NPY5R (0.48) EGFRGRM4MEN1MAPTMAPK1
SCHEMBL7930912 0.79 MEN1 (0.59) EGFRMEN1MAPTMAPK1KMT2A
SCHEMBL18343350 0.79 ROCK2 (0.42) GRM4MAPK1DYRK1ACCNA2CDK2
SCHEMBL22131187 0.79 YTHDC1 (0.45) GRM4
SCHEMBL2257238 0.78 NPY5R (0.66) EGFRMEN1MAPTMAPK1KMT2A
SCHEMBL30960995 0.78 NPY5R (0.66) EGFRMEN1MAPTMAPK1KMT2A
SCHEMBL21567259 0.78 APP (0.67) EGFRMEN1MAPTMAPK1KMT2A

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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
US-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF UNIVERSITE D'ORLEANS (FR) 2013-05-02 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 (2 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-20130109693-A1 DERIVATIVES OF PYRIDO [3,2-D] PYRIMIDINE, METHODS FOR PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, CYP2D6, TYMS EGFR 2428/4885GRM4 2802/4885MEN1 2945/4885
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 EGFR 305/4885GRM4 3277/4885MEN1 1378/4885

“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.