SCHEMBL10275567

SCHEMBL10275567

Cc1nn2c(=O)c3ccc(-c4ccc(C#N)cc4)cc3n(C)c2c1-c1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
MIF P14174 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 2/20 0.34
AR P10275 1/20 0.34
NR3C2 P08235 1/20 0.34
KDM1A O60341 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL10275293 0.84 KDM1A (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275539 0.81 FLT3 (0.39) CHEK1MIFKMT2AARPARP1
SCHEMBL10275521 0.81 AR (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275736 0.80 AR (0.39) CHEK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10275598 0.77 SLC34A1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275864 0.76 FNTA (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275867 0.76 PI4KB (0.41) FNTAFNTBPGGT1BAR
SCHEMBL10313872 0.76 BRD4 (0.39) FNTAFNTBPGGT1B
SCHEMBL10313845 0.73 ARF6 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10275952 0.73 FNTA (0.39) FNTAFNTBPGGT1BMIFPGR

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 CHEK1 954/4885GABRA1 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.