SCHEMBL10276360

SCHEMBL10276360

CCc1nn2c(=O)cc(-c3ccc(C#N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
AR P10275 1/20 0.35
NSD2 O96028 1/20 0.34
KDM1A O60341 1/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADORA2A P29274 2/20 0.32

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
SCHEMBL10275521 0.87 AR (0.36) KDM4EALDH1A1POLBGAABRD4
SCHEMBL10276244 0.87 MAPT (0.36) ALDH1A1BRD4ADORA2AADORA2BADORA1
SCHEMBL10275351 0.86 RAD51 (0.35) GAAKCNH2ADORA2AADORA2BADORA1
SCHEMBL10276280 0.85 ARF6 (0.41) KDM4EALDH1A1POLBGAAGABRA1
SCHEMBL10313576 0.84 ADORA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10276164 0.83 ARF6 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275294 0.83 KDM1A (0.37) KDM4EBRD4GABRA1GABRG2GABRB3
SCHEMBL10275216 0.79 GCGR (0.38) KDM4EBRD4GABRA1GABRG2GABRB3
SCHEMBL10275869 0.75 FLT3 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10276468 0.74 PARP1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3

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 KDM4E 3483/4885ALDH1A1 572/4885POLB 972/4885

“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.