SCHEMBL3776629

SCHEMBL3776629

CCOc1cc(CN2CCC(c3cccc4nc(N)nc(N)c34)CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 10/20 0.61
DHFR P00374 1/20 0.55
SSTR5 P35346 8/20 0.53
HRH1 P35367 2/20 0.53
HTR2B P41595 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
KCNH2 Q12809 1/20 0.45
SSTR1 P30872 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3781618 0.89 SSTR5 (0.53) DCPSDHFRSSTR5HRH1HTR2B
SCHEMBL1748552 0.78 SSTR5 (0.48) DCPSSSTR5HRH1HTR2BMEN1
SCHEMBL1154603 0.76 DCPS (1.00) DCPSDHFRCYP2D6
SCHEMBL3774415 0.75 SSTR5 (0.47) DCPSDHFRSSTR5HRH1HTR2B
SCHEMBL1748554 0.74 SSTR5 (0.47) DCPSDHFRSSTR5HRH1HTR2B
SCHEMBL1748320 0.74 SSTR5 (0.55) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL2419126 0.74 SSTR5 (0.47) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL1873520 0.74 SSTR5 (0.51) SSTR5HRH1HTR2BMEN1KMT2A
SCHEMBL2164670 0.71 DCPS (0.85) DCPSDHFRCYP2D6
SCHEMBL2165714 0.71 DHFR (1.00) DCPSDHFRCYP2D6

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 5 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
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO 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 DCPS 1685/4885DHFR 346/4885SSTR5 1/4885

“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.