SCHEMBL3778466

SCHEMBL3778466

CCOc1cc(CN2CCC(Nc3ncc(C(=O)O)c(C(F)(F)F)n3)CC2)cc(OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
SSTR5 P35346 12/20 0.43
HRH1 P35367 2/20 0.41
HTR2B P41595 1/20 0.41
SSTR1 P30872 1/20 0.41
CXCR4 P61073 1/20 0.40
KCNH2 Q12809 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
CDK2 P24941 2/20 0.39

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
SCHEMBL3774529 0.90 SSTR5 (0.47) MCHR1SSTR5CXCR4KCNH2SIGMAR1
SCHEMBL3778959 0.90 SSTR5 (0.55) SSTR5SSTR1KCNH2CDK1CDK4
SCHEMBL3782490 0.89 SSTR5 (0.49) SSTR5HRH1SSTR1KCNH2CDK1
SCHEMBL3781098 0.89 SSTR5 (0.55) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3782631 0.86 KDM4E (0.52) SSTR5HRH1HTR2BSSTR1
SCHEMBL3779022 0.86 SSTR5 (0.48) SSTR5HRH1SSTR1KCNH2CDK1
SCHEMBL3770103 0.85 SSTR5 (0.53) SSTR5HRH1SSTR1KCNH2
SCHEMBL3781218 0.85 SSTR5 (0.58) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3772402 0.85 SSTR5 (0.53) SSTR5HRH1HTR2BSSTR1KCNH2
SCHEMBL3775296 0.85 SSTR5 (0.54) SSTR5HRH1HTR2BSSTR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 MCHR1 270/4885SSTR5 1/4885HRH1 140/4885

“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.