SCHEMBL2019862

SCHEMBL2019862

CCC(CC)(c1nc(Cl)cc(NC2CCOCC2)n1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.36
MAPK3 P27361 3/20 0.36
RPS6KA1 Q15418 5/20 0.36
PDE4D Q08499 1/20 0.35
CCNT1 O60563 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
BRD4 O60885 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
SCHEMBL2022965 0.86 PIM1 (0.35) MAPK3CCNT1IRAK4CDK2
SCHEMBL2021524 0.82 PDE10A (0.46) PDE4DPDE4BCCNE1CDK2
SCHEMBL2022500 0.77 MMP1 (0.32)
SCHEMBL3236457 0.76 MAPK1 (0.37) MAPK1MAPK3RPS6KA1CCNT1HDAC3
SCHEMBL2019860 0.72 PDE4D (0.39) MAPK1MAPK3RPS6KA1PDE4DCCNT1
SCHEMBL28624228 0.72 IDH1 (0.35) MAPK1PDE4DCCNT1
SCHEMBL3199851 0.69 OPRK1 (0.51) MAPK1CCNT1
SCHEMBL3713155 0.69 TDP1 (0.41) MAPK1MAPK3RPS6KA1CCNT1PDE4B
SCHEMBL2020522 0.68 KMT2A (0.36)
SCHEMBL12574434 0.67 MAPK1 (0.47) MAPK1MAPK3CCNT1IRAK4

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 MAPK1 985/4885MAPK3 1907/4885RPS6KA1 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.