SCHEMBL2022499

SCHEMBL2022499

CCOP(=O)(Cc1nc(Cl)cc(Cl)n1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.37
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EGFR P00533 2/20 0.34
NPY5R Q15761 1/20 0.33
HMGCR P04035 1/20 0.33
BTK Q06187 1/20 0.31
PTK2 Q05397 1/20 0.31
PLAU P00749 1/20 0.30

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
SCHEMBL31039235 0.82 TSHR (0.39) TSHRMAPTHTTTDP1TP53
SCHEMBL2020520 0.82 KMT2A (0.38) MAPTHTTALDH1A1L3MBTL1
SCHEMBL10279722 0.80 NPY5R (0.35) TSHRMAPTHTTPPARDALDH1A1
SCHEMBL11020348 0.77 NPY5R (0.40) NPY5RBTKPTK2
SCHEMBL2019860 0.76 PDE4D (0.39) MAPK1
SCHEMBL2022964 0.76 PIM1 (0.35)
SCHEMBL5052076 0.75 TSHR (0.39) TSHRMAPTHTTTDP1TP53
SCHEMBL13640341 0.71 MAPT (0.35) TSHRMAPTHTTTDP1TP53
SCHEMBL3231825 0.71 PGK1 (0.42)
SCHEMBL23908226 0.70 TSHR (0.50) TSHRMAPTHTTTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350027-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 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 (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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A TSHR 3644/4885MAPT 3672/4885HTT 4547/4885

“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.