SCHEMBL10275867

SCHEMBL10275867

Cc1nn2c(=O)c(C)c(NCc3ccc(C#N)cc3)n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.41
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK14 Q16539 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
PGGT1B P53609 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
VNN1 O95497 2/20 0.35
AR P10275 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 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
SCHEMBL10275953 0.85 PI4KB (0.45) PI4KBBRD4KDM4EALDH1A1POLB
SCHEMBL10313872 0.84 BRD4 (0.39) PI4KBBRD4KDM4EALDH1A1POLB
SCHEMBL10275293 0.82 KDM1A (0.39) PI4KBMAPK14FNTAFNTBPGGT1B
SCHEMBL10276207 0.81 BRD4 (0.43) PI4KBBRD4KDM4EALDH1A1POLB
SCHEMBL10275864 0.78 FNTA (0.39) MAPK14FNTAFNTBPGGT1B
SCHEMBL10313834 0.78 BRD4 (0.41) PI4KBBRD4KDM4EALDH1A1POLB
SCHEMBL10276292 0.76 BRD4 (0.43) PI4KBBRD4KDM4EALDH1A1POLB
SCHEMBL10275567 0.76 CHEK1 (0.37) FNTAFNTBPGGT1BAR
SCHEMBL10275294 0.75 KDM1A (0.37) BRD4KDM4EMAPK14FNTAFNTB
SCHEMBL10275521 0.75 AR (0.36) PI4KBBRD4KDM4EALDH1A1POLB

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 1 patent. 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

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 PI4KB 3384/4885BRD4 3228/4885KDM4E 3483/4885

“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.