SCHEMBL10276096

SCHEMBL10276096

CCc1nn2c(=O)cc(-c3ccc(C(F)(F)F)cc3)nc2cc1-c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 3/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 5/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 2/20 0.34
TRPV3 Q8NET8 2/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL12826245 0.89 TP53 (0.40) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10276300 0.87 RAD51 (0.43) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10275992 0.82 TP53 (0.44) RAD51KDM4EALDH1A1MAPTHPGD
SCHEMBL10275267 0.81 NPC1 (0.40) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10275924 0.75 RAD51 (0.50) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10275813 0.75 AR (0.42) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10275732 0.74 ALDH1A1 (0.43) RAD51KDM4EALDH1A1MAPTRAB9A
SCHEMBL10275351 0.74 RAD51 (0.35) RAD51MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10275658 0.73 HPGD (0.46) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL10313513 0.73 RAD51 (0.50) RAD51KDM4EALDH1A1MAPTRAB9A

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 1465/4885KDM4E 3483/4885ALDH1A1 572/4885

“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.