SCHEMBL933211

SCHEMBL933211

CN1CCC(Oc2cc[c]cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36

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
SCHEMBL933319 0.92 HRH3 (0.44) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL3515622 0.81 HRH3 (0.49) HRH3
SCHEMBL932866 0.78 CHRM4 (0.40) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL19128331 0.77 HRH3 (0.36) HRH3
SCHEMBL2541858 0.77 LOX (0.41) HRH3
SCHEMBL20898844 0.76 PDE3B (0.37) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL8636961 0.76 LOX (0.43) HRH3
SCHEMBL189065 0.76 HRH3 (0.53) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL23708521 0.75 PDE3B (0.55) CHRM4CHRM5CHRM1CHRM3CHRM2
SCHEMBL13162608 0.75 PDE3B (0.55) CHRM4CHRM5CHRM1CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP disclosed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US disclosed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 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 (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-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI CHRM4 4849/4885CHRM5 4754/4885CHRM1 4780/4885

“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.