SCHEMBL3767936

SCHEMBL3767936

CCOc1cc(CN2CCC(Nc3ncc(-c4cccnc4)cn3)CC2)cc(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 10/20 0.46
HRH1 P35367 3/20 0.46
HTR2B P41595 2/20 0.46
LMNA P02545 1/20 0.45
GBA1 P04062 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 1/20 0.43
SMO Q99835 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
BACE1 P56817 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL3774157 0.90 SSTR5 (0.51) SSTR5HRH1HTR2BLMNAMCHR1
SCHEMBL3774524 0.89 SSTR5 (0.53) SSTR5LMNAGBA1POLBMAPT
SCHEMBL3779116 0.88 SSTR5 (0.55) SSTR5HRH1HTR2BLMNAGBA1
SCHEMBL3780052 0.88 SSTR5 (0.51) SSTR5HRH1HTR2BLMNAGBA1
SCHEMBL3773257 0.88 SSTR5 (0.55) SSTR5HRH1HTR2BLMNAGBA1
SCHEMBL3783512 0.85 SSTR5 (0.49) SSTR5HRH1HTR2BLMNAGBA1
SCHEMBL3777253 0.85 SSTR5 (0.56) SSTR5HRH1HTR2BSMO
SCHEMBL3782836 0.85 SSTR5 (0.57) SSTR5HRH1HTR2BLMNAGBA1
SCHEMBL3782982 0.85 SSTR5 (0.56) SSTR5HRH1HTR2B
SCHEMBL1874084 0.85 SSTR5 (0.49) SSTR5HRH1HTR2BLMNAGBA1

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
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US 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 SSTR5 1/4885HRH1 140/4885HTR2B 106/4885

“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.