SCHEMBL3180710

SCHEMBL3180710

Nc1nc(N)c(O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
PNP P00491 2/20 0.46
MAPT P10636 4/20 0.42
RECQL P46063 1/20 0.42
THRB P10828 2/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
QTRT1 Q9BXR0 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TYMS P04818 1/20 0.39
DYRK1A Q13627 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL3167526 0.81 CDK1 (0.33) CDK1CDK4CDK2PNPALDH1A1
SCHEMBL3167024 0.77 ALDH1A1 (0.50) MAPTKMT2AKDM4EALDH1A1GLA
SCHEMBL9653630 0.77 NPSR1 (0.49) CDK1CDK4CDK2PNPMAPT
SCHEMBL1271646 0.75 CDK1 (0.56) CDK1CDK4CDK2PNPMAPT
Hydrochloric Acid SCHEMBL12474436 0.73 CDK1 (0.54) CDK1CDK4CDK2PNPMAPT
SCHEMBL7167384 0.73 CDK1 (0.54) CDK1CDK4CDK2PNPMAPT
SCHEMBL12956972 0.71 CDK1 (0.52) CDK1CDK4CDK2PNPMAPT
Sulfuric Acid SCHEMBL21495047 0.71 CDK1 (0.47) CDK1CDK4CDK2PNPMAPT
SCHEMBL10991513 0.69 SMN1; SMN2 (0.47) MAPTRECQLPOLBTSHRKDM4E
SCHEMBL29954149 0.68 CDK1 (0.48) CDK1CDK4CDK2PNPMAPT

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-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
US-20100008874-A1 SUBSTITUTED PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS EFFECTIVE ABSORBENTS OF UV IRRADIATION YISSUM RESEARCH DEVELOPMENT COMPANY (IL) 2010-01-14 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 (2 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-20100008874-A1 SUBSTITUTED PYRIMIDINES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS EFFECTIVE ABSORBENTS OF UV IRRADIATION UNG, UMPS, TYMP CDK1 711/4885CDK4 697/4885CDK2 233/4885
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 CDK1 1124/4885CDK4 3502/4885CDK2 2259/4885

“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.