SCHEMBL10275216

SCHEMBL10275216

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
ARF6 P62330 4/20 0.36
KDM1A O60341 1/20 0.35
AR P10275 1/20 0.35
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
EGFR P00533 1/20 0.33
KIT P10721 2/20 0.33
NSD2 O96028 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL10280465 0.87 GCGR (0.40) GCGRMAPK14ARF6KDM1AAR
SCHEMBL10276268 0.84 ARF6 (0.48) GCGRMAPK14ARF6KDM1AAR
SCHEMBL10276075 0.83 PARP1 (0.36) GCGRMAPK14ARF6KDM1AAR
SCHEMBL10275610 0.83 PLAT (0.42) GCGRMAPK14ARF6KDM1AAR
SCHEMBL10275395 0.83 ARF6 (0.43) ARF6KDM4E
SCHEMBL10275663 0.82 ARF6 (0.47) GCGRMAPK14ARF6KDM1AAR
SCHEMBL10275869 0.82 FLT3 (0.38) ARF6GABRA1GABRG2GABRB3GABRA5
SCHEMBL10275761 0.80 SLC34A1 (0.40) GCGRMAPK14KCNH2PARP1PARP2
SCHEMBL12826374 0.80 KDM1A (0.36) GCGRMAPK14ARF6KDM1AGABRA1
SCHEMBL10276360 0.79 KDM4E (0.36) KDM1AARKCNH2BRD4GABRA1

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 GCGR 2747/4885MAPK14 2663/4885ARF6 3355/4885

“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.