SCHEMBL10275846

SCHEMBL10275846

Cc1nn2c(=O)c([N+](=O)[O-])c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 1/20 0.40
ARF6 P62330 7/20 0.39
PDE2A O00408 3/20 0.37
PLAT P00750 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PDE5A O76074 1/20 0.34
HTT P42858 1/20 0.34
CRHR1 P34998 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 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
SCHEMBL10275365 0.88 HCRTR1 (0.41) PSDARF6CRHR1
SCHEMBL10276006 0.87 ARF6 (0.40) ARF6PDE2APLATCNR1CNR2
SCHEMBL10275556 0.86 SRD5A2 (0.40) PSDARF6HTTCRHR1
SCHEMBL10275915 0.82 PLAT (0.42) PDE2APLATPDE5AABCC8KCNJ11
SCHEMBL10275442 0.79 ARF6 (0.41) PSDARF6PDE2APLATCNR1
SCHEMBL10275550 0.77 ARF6 (0.41) ARF6CNR1CNR2
SCHEMBL10275490 0.76 ARF6 (0.41) PSDARF6CNR1CNR2
SCHEMBL10275917 0.75 ARF6 (0.50) ARF6PLATCNR1CNR2
SCHEMBL10276241 0.74 MAPK13 (0.42) PSDARF6PDE2APLATABCC8
SCHEMBL10275821 0.73 ABCC8 (0.36) ARF6PLATCNR1ABCC8KCNJ11

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 4 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
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 PSD 591/4885ARF6 3355/4885PDE2A 3531/4885

“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.