SCHEMBL2024072

SCHEMBL2024072

COC(=O)c1cc(NC2CCOCC2)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
MAPK3 P27361 1/20 0.41
LRRK2 Q5S007 1/20 0.40
OPRK1 P41145 1/20 0.39
CCNE1 P24864 5/20 0.39
CDK2 P24941 5/20 0.39
FYN P06241 3/20 0.38
SYK P43405 1/20 0.37
CNR2 P34972 1/20 0.37
RPS6KA1 Q15418 2/20 0.37
BRD4 O60885 1/20 0.36
PIM1 P11309 1/20 0.36
CCNT1 O60563 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL2791038 0.88 S1PR1 (0.42) OPRK1SYK
SCHEMBL20502047 0.88 S1PR1 (0.39) OPRK1SYKNQO2
SCHEMBL2786922 0.87 S1PR1 (0.44) OPRK1
SCHEMBL23304429 0.87 SYK (0.39) MAPK1LRRK2SYKBRD4NQO2
SCHEMBL1748359 0.85 PLAT (0.40) CDK2SYKBRD4CCNT1NQO2
Hydrochloric Acid SCHEMBL1748358 0.84 PLAT (0.39) SYKBRD4CCNT1NQO2
SCHEMBL30060484 0.83 PIK3CA (0.53) OPRK1CCNE1CDK2
SCHEMBL27172385 0.83 PIK3CA (0.53) OPRK1CCNE1CDK2
SCHEMBL19687157 0.82 IDH1 (0.40) MAPK3SYKNQO2
SCHEMBL22549439 0.81 NSD2 (0.42) CDK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339193-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2024-03-20 EP disclosed
WO-2022237858-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-11-17 WO disclosed
CN-115340528-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2022-11-15 CN disclosed
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
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A MAPK1 985/4885MAPK3 1907/4885LRRK2 3325/4885

“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.