SCHEMBL10275588

SCHEMBL10275588

Cc1nn2c(=O)cc(-c3ccc(C(F)(F)F)nc3)nc2cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
SYK P43405 1/20 0.36
TP53 P04637 2/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP1 P11387 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 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
SCHEMBL10313525 0.93 RAD51 (0.45) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10275924 0.90 RAD51 (0.50) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10313513 0.87 RAD51 (0.50) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276087 0.82 RAD51 (0.43) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10275798 0.81 TOP1 (0.40) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276300 0.80 RAD51 (0.43) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276131 0.80 RAD51 (0.38) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276231 0.72 CNR1 (0.41) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10275745 0.72 CNR1 (0.41) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10313540 0.70 AR (0.42) RAD51MAPTNPC1RAB9ASMN1; SMN2

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
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 WO 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 750/4885NPC1 1381/4885

“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.