SCHEMBL10276280

SCHEMBL10276280

Cn1c(-c2ccc(C#N)cc2)cc(=O)n2nc(C(F)(F)F)c(-c3ccc(F)cc3F)c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 4/20 0.41
GABRA1 P14867 6/20 0.35
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA2 P47869 2/20 0.35
AR P10275 2/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
KIF11 P52732 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
SCHEMBL10275521 0.87 AR (0.36) GABRA1GABRG2GABRB3ARGABRA5
SCHEMBL10276360 0.85 KDM4E (0.36) GABRA1GABRG2GABRB3ARGABRA5
SCHEMBL10313576 0.84 ADORA1 (0.40) GABRA1GABRG2GABRB3GABRA2AR
SCHEMBL10276164 0.83 ARF6 (0.41) ARF6GABRA1GABRG2GABRB3AR
SCHEMBL10313845 0.83 ARF6 (0.39) ARF6GABRA1GABRG2GABRB3AR
SCHEMBL10275378 0.79 NPC1 (0.38) GAAMAPTNPSR1
SCHEMBL10276268 0.78 ARF6 (0.48) ARF6GABRA1GABRG2GABRB3GABRA2
SCHEMBL10275351 0.76 RAD51 (0.35) GAAMAPTNPSR1
SCHEMBL10275424 0.76 NPC1 (0.46) KDM4ENPSR1
SCHEMBL10276346 0.75 KIF11 (0.43) ARF6GABRA1GABRG2GABRB3GABRA2

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
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 3355/4885GABRA1 1257/4885GABRG2 2687/4885

“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.