SCHEMBL10276573

SCHEMBL10276573

Cc1nn2c(=O)c(C)c(-c3ccc(C#N)cc3)[nH]c2c1-c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
MAP4K4 O95819 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CHEK2 O96017 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC11A2 P49281 1/20 0.35
NR3C2 P08235 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CRHR1 P34998 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
SCHEMBL10313592 0.89 SLC11A2 (0.42) ARNPC1TP53MAPTRAB9A
SCHEMBL10313461 0.88 SLC11A2 (0.38) SLC11A2KDM4EALDH1A1GAAHPGD
SCHEMBL10275830 0.87 AR (0.42) ARNPC1TP53MAPTRAB9A
SCHEMBL10275278 0.83 KIF11 (0.43) SLC11A2CRHR1PLAT
SCHEMBL10275772 0.82 AR (0.43) ARMAP4K4CHEK2KMT2ASLC22A12
SCHEMBL10275651 0.81 AR (0.43) ARMAP4K4EGLN2CHEK2SIRT5
SCHEMBL10313589 0.79 ALDH1A1 (0.48) ARNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10313493 0.78 SLC34A1 (0.43) TP53MAPTKDM4EALDH1A1GAA
SCHEMBL10276557 0.77 AR (0.43) ARMAP4K4EGLN2SIRT5NPC1
SCHEMBL10275295 0.77 MAPK14 (0.37) ARNR3C2CRHR1

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 3221/4885MAP4K4 1105/4885EGLN2 4250/4885

“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.