SCHEMBL10275598

SCHEMBL10275598

CCOC(=O)c1c(-c2ccc(C#N)cc2)n(C)c2c(-c3ccc(F)cc3F)c(C)nn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 7/20 0.41
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KDM1A O60341 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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) SLC34A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL10275271 0.84 SLC34A1 (0.42) SLC34A1MAPTALDH1A1KDM4EGAA
SCHEMBL10275507 0.82 SLC34A1 (0.41) SLC34A1MAPTALDH1A1KDM4EGAA
SCHEMBL10275274 0.82 KDM4E (0.35) ALDH1A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL10275630 0.81 ARF6 (0.38) SLC34A1MAPTALDH1A1GAAL3MBTL1
SCHEMBL10275294 0.78 KDM1A (0.37) SLC34A1KDM4EGABRA1GABRG2GABRB3
SCHEMBL10275761 0.78 SLC34A1 (0.40) SLC34A1ALDH1A1KDM4EGAAHPGD
SCHEMBL10275567 0.77 CHEK1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10313819 0.76 ARF6 (0.44) SLC34A1ALDH1A1L3MBTL1
SCHEMBL10275521 0.76 AR (0.36) ALDH1A1KDM4EGAAGABRA1GABRG2

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 SLC34A1 474/4885MAPT 750/4885ALDH1A1 572/4885

“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.