SCHEMBL4256550

SCHEMBL4256550

Cc1nc(Cl)c(C)c(N(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
PDK2 Q15119 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAT2A P31153 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
SCHEMBL18158244 0.79 TSHR (0.33) USP2ALDH1A1KDM4ETSHRMEN1
SCHEMBL4271120 0.79 USP2 (0.33) USP2ALDH1A1
SCHEMBL1124025 0.79 USP2 (0.33) USP2ALDH1A1
SCHEMBL275977 0.78 PDE10A (0.48) ALDH1A1PDE10APDK2
SCHEMBL26330690 0.76 PDE10A (0.31) ALDH1A1PDE10AKDM4ETSHR
SCHEMBL5844046 0.75 CRHR1 (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1123483 0.72 MAPT (0.42) ALDH1A1TSHR
SCHEMBL1830615 0.70 PDE10A (0.37) PDE10APDK2
SCHEMBL27344584 0.70 CRHR1 (0.35)
SCHEMBL5844393 0.69 CRHR1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 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 (3 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-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 USP2 2597/4885ALDH1A1 2007/4885PDE10A 888/4885
US-11766434-B2 Pyrimidinone derivatives as CDC7 inhibitors CDC7, CDK7, CDK17 USP2 2263/4885ALDH1A1 2172/4885PDE10A 3096/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 USP2 3981/4885ALDH1A1 765/4885PDE10A 1181/4885

“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.