SCHEMBL2022964

SCHEMBL2022964

CCOP(=O)(Cc1nc(Cl)cc(N[C@H]2CC[C@H](OC)CC2)n1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.35
PIM2 Q9P1W9 2/20 0.35
CCNT1 O60563 1/20 0.34
PTGER1 P34995 1/20 0.33
BRD4 O60885 1/20 0.32
MAPK7 Q13164 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CDK2 P24941 2/20 0.31
CCNA2 P20248 1/20 0.31
GRM1 Q13255 1/20 0.31
CDK9 P50750 2/20 0.31
CDC7 O00311 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
PRKACA P17612 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL2019860 0.87 PDE4D (0.39) CCNT1CDK2CDK9CCNK
SCHEMBL3240478 0.86 PIM1 (0.37) PIM1PIM2CCNT1PTGER1NOS1
SCHEMBL3240488 0.86 PIM1 (0.37) PIM1PIM2CCNT1PTGER1NOS1
SCHEMBL2021429 0.82 NUDT1 (0.46) PIM1PIM2BRD4MAPK7CDK2
SCHEMBL2022499 0.76 TSHR (0.39)
SCHEMBL2022965 0.74 PIM1 (0.35) PIM1PIM2CCNT1PTGER1NOS1
SCHEMBL2021521 0.70 PDE10A (0.45) CDK2
SCHEMBL3236327 0.69 CHRM3 (0.47) PIM1NOS1NOS2CDK2CCNA2
SCHEMBL3236457 0.68 MAPK1 (0.37) PIM1CCNT1CDK2CDK9CDC7
SCHEMBL2020520 0.67 KMT2A (0.38) MEN1KMT2A

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 PIM1 2743/4885PIM2 3252/4885CCNT1 738/4885

“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.