SCHEMBL2408256

SCHEMBL2408256

COC(=O)c1nc(C)c(C)nc1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
CA12 O43570 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA1 P00915 3/20 0.49
APP P05067 1/20 0.41
KDM4E B2RXH2 6/20 0.40
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL6101682 0.90 NPSR1 (0.75) NPSR1CA12CA2CA9CA1
SCHEMBL2409818 0.85 NPSR1 (0.54) NPSR1CA12CA2CA9CA1
SCHEMBL31214346 0.83 NPSR1 (0.52) NPSR1CA12CA2CA9CA1
SCHEMBL2408051 0.83 NPSR1 (0.52) NPSR1CA12CA2CA9CA1
SCHEMBL11732441 0.82 NPSR1 (0.56) NPSR1CA12CA2CA9CA1
SCHEMBL6101689 0.82 NPSR1 (0.62) NPSR1CA12CA2CA9CA1
SCHEMBL16418573 0.82 NPSR1 (0.56) NPSR1CA12CA2CA9CA1
SCHEMBL5769127 0.82 NPSR1 (0.62) NPSR1CA12CA2CA9CA1
SCHEMBL29977899 0.82 NPSR1 (0.56) NPSR1CA12CA2CA9CA1
SCHEMBL25174331 0.80 NPSR1 (0.54) NPSR1CA12CA2CA9CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531648-B Herbicidal compounds 先正达参股股份有限公司 2021-07-13 CN disclosed
CN-107531648-A Herbicides compounds 先正达参股股份有限公司 2018-01-02 CN disclosed
WO-2017101789-A1 COMPOUND HAVING ANTI-CANCER EFFECT, AND METHOD FOR PREPARATION THEREOF AND APPLICATION THEREOF 四川思路迪药业有限公司 2017-06-22 WO disclosed
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A NPSR1 2131/4885CA12 3212/4885CA2 1078/4885

“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.