SCHEMBL10275517

SCHEMBL10275517

N#Cc1ccc(C2=NC(=O)C3C(N2)C3c2ccc(F)cc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
KDM1A O60341 1/20 0.34
AR P10275 2/20 0.34
DPP4 P27487 1/20 0.34
GRM5 P41594 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
MIF P14174 1/20 0.32
ELANE P08246 1/20 0.32
KIF11 P52732 1/20 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
SCHEMBL10276537 0.82 NPY5R (0.35) PARP1PARP2DPP4PDE3BPDE3A
SCHEMBL10276134 0.79 KCNH2 (0.33) KCNH2DPP4GRM5
SCHEMBL10275644 0.79 KMT2A (0.36)
SCHEMBL10276139 0.78 KCNH2 (0.34) KCNH2DPP4GRM5
SCHEMBL10313598 0.75 NPC1 (0.42) GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275979 0.74 LMNA (0.40)
SCHEMBL10275991 0.73 AR (0.35) KCNH2PARP1PARP2KDM1AAR
SCHEMBL10275493 0.71 MAP4K4 (0.43) AR
SCHEMBL10276485 0.68 MC4R (0.34) KCNH2PARP1PARP2KDM1AAR
SCHEMBL10275801 0.66 DPP4 (0.33) KCNH2PARP1PARP2KDM1ADPP4

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 4 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
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 KCNH2 1984/4885PARP1 2647/4885PARP2 3330/4885

“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.