SCHEMBL10275830

SCHEMBL10275830

CCOC(=O)c1c(-c2ccc(C#N)cc2)[nH]c2c(-c3ccc(C(=O)O)cc3)c(C)nn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
SLC34A1 Q06495 2/20 0.41
ELANE P08246 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 9/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 7/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL10313589 0.92 ALDH1A1 (0.48) ARSLC34A1ELANEALDH1A1NPSR1
SCHEMBL10313493 0.91 SLC34A1 (0.43) SLC34A1FNTAFNTBALDH1A1NPSR1
SCHEMBL10276573 0.87 AR (0.43) ARALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10313817 0.87 SLC34A1 (0.42) SLC34A1ELANEFNTAFNTBALDH1A1
SCHEMBL10275627 0.85 MAPT (0.41) ALDH1A1NPSR1HTTKDM4EHPGD
SCHEMBL10275271 0.81 SLC34A1 (0.42) SLC34A1ALDH1A1NPSR1HTTKDM4E
SCHEMBL10275435 0.81 ALDH1A1 (0.42) SLC34A1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10275463 0.78 GPR119 (0.44) SLC34A1ALDH1A1NPSR1HTTKDM4E
SCHEMBL10275772 0.78 AR (0.43) ARKMT2APLAT
SCHEMBL10275651 0.77 AR (0.43) ARSMN1; SMN2MAPTTP53NPC1

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 AR 3221/4885SLC34A1 474/4885ELANE 4177/4885

“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.