SCHEMBL10276300

SCHEMBL10276300

Cc1nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc2cc1-c1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 3/20 0.43
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 5/20 0.38
TP53 P04637 4/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
FUBP1 Q96AE4 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL10275267 0.92 NPC1 (0.40) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10275732 0.87 ALDH1A1 (0.43) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10276096 0.87 RAD51 (0.39) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10275924 0.87 RAD51 (0.50) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10275658 0.85 HPGD (0.46) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10275992 0.85 TP53 (0.44) RAD51MAPTKDM4EALDH1A1HPGD
SCHEMBL10275338 0.84 AR (0.43) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10313513 0.84 RAD51 (0.50) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10313540 0.81 AR (0.42) RAD51MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10275588 0.80 RAD51 (0.42) RAD51MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAD51 1465/4885MAPT 750/4885SMN1; SMN2 1771/4885

“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.