SCHEMBL2019860

SCHEMBL2019860

CCOP(=O)(Cc1nc(Cl)cc(NC2CCOCC2)n1)OCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
MAPK1 P28482 7/20 0.34
RPS6KA1 Q15418 5/20 0.34
MAPK3 P27361 1/20 0.34
CCNT1 O60563 6/20 0.33
CCNK O75909 2/20 0.33
CDK9 P50750 2/20 0.33
MAP2K7 O14733 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL2022964 0.87 PIM1 (0.35) CCNT1CCNKCDK9CDK2
SCHEMBL3236457 0.82 MAPK1 (0.37) MAPK1RPS6KA1MAPK3CCNT1CDK9
SCHEMBL2021521 0.82 PDE10A (0.45) PDE4DCCNE1CDK2PDE4B
SCHEMBL2022499 0.76 TSHR (0.39) MAPK1
SCHEMBL3240488 0.73 PIM1 (0.37) MAPK3CCNT1CDK9CDK2
SCHEMBL3240478 0.73 PIM1 (0.37) MAPK3CCNT1CDK9CDK2
SCHEMBL2019862 0.72 MAPK1 (0.36) PDE4DMAPK1RPS6KA1MAPK3CCNT1
SCHEMBL2021429 0.70 NUDT1 (0.46) PDE4DCDK2PDE4B
SCHEMBL3199851 0.69 OPRK1 (0.51) MAPK1CCNT1
SCHEMBL3713155 0.68 TDP1 (0.41) MAPK1RPS6KA1MAPK3CCNT1CCNE1

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 PDE4D 21/4885MAPK1 985/4885RPS6KA1 3821/4885

“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.