SCHEMBL10313845

SCHEMBL10313845

Cc1c(-c2ccc(C#N)cc2)n(C)c2c(-c3ccc(F)cc3F)c(C(F)(F)F)nn2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 3/20 0.39
KDM1A O60341 1/20 0.37
NSD2 O96028 2/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
GABRA1 P14867 5/20 0.34
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
AR P10275 1/20 0.34
CYP11B2 P19099 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A3 P11169 1/20 0.33
SLC2A4 P14672 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
MAPK14 Q16539 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
SCHEMBL10275293 0.89 KDM1A (0.39) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10275630 0.86 ARF6 (0.38) ARF6MAPT
SCHEMBL10275294 0.85 KDM1A (0.37) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10276257 0.85 ADORA1 (0.39) KDM1ANSD2FNTAFNTBPGGT1B
SCHEMBL10275454 0.84 KDM1A (0.41) ARF6KDM1ANSD2FNTAFNTB
SCHEMBL10276280 0.83 ARF6 (0.41) ARF6FNTAFNTBPGGT1BGABRA1
SCHEMBL10275794 0.80 PDE2A (0.39) MAPTNPSR1PGRNR3C2
SCHEMBL10275823 0.80 ARF6 (0.46) ARF6KDM1AGABRA1GABRG2GABRB3
SCHEMBL10276461 0.77 PDE2A (0.34) PGRNR3C2
SCHEMBL10275439 0.76 KDM4E (0.40) KDM1AMAPTNPSR1PGRNR3C2

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 2 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 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 ARF6 3355/4885KDM1A 3996/4885NSD2 3880/4885

“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.