SCHEMBL3767960

SCHEMBL3767960

CC(C)(C)OC(=O)N1CCC(Nc2ncc(C(=O)Nc3ccc(Cl)cc3)c(C(F)(F)F)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.60
▸ MAPT P10636 5/20 0.51
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PTPN11 Q06124 1/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ PTPN6 P29350 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ATF1 P18846 1/20 0.45

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
SCHEMBL3770123 0.90 ALDH1A1 (0.49) NR3C1MAPTALDH1A1NPC1MAPK1
SCHEMBL13015051 0.81 CNR2 (0.53) NR3C1ATF1NFKB1
SCHEMBL22895585 0.77 CDK12 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL23292416 0.77 CDK12 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL28541041 0.77 CDK12 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL29821059 0.77 IDH1 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL22901094 0.77 IDH1 (0.49) MAPTALDH1A1NPC1MAPK1HTT
SCHEMBL30915072 0.76 ALDH1A1 (0.57) NR3C1MAPTALDH1A1NPC1MAPK1
SCHEMBL2338130 0.76 ALDH1A1 (0.77) NR3C1MAPTALDH1A1NPC1MAPK1
SCHEMBL17980836 0.75 NR3C1 (1.00) NR3C1MAPTTP53THRB

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 NR3C1 567/4885MAPT 3965/4885TP53 1447/4885

“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.

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