SCHEMBL933058

SCHEMBL933058

CN(C)CCc1[c]cccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 2/20 0.38
CHRNA7 P36544 1/20 0.38
CHRM2 P08172 9/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
TAAR1 Q96RJ0 4/20 0.36
CHRM1 P11229 7/20 0.34
HRH1 P35367 6/20 0.34
CHRM5 P08912 5/20 0.34
CHRM4 P08173 4/20 0.34
CHRM3 P20309 4/20 0.34
SLC6A3 Q01959 5/20 0.33
KCNH2 Q12809 5/20 0.33
HRH3 Q9Y5N1 4/20 0.33
ADRA2B P18089 4/20 0.33
HTR2A P28223 4/20 0.33

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
SCHEMBL6202813 0.80 CHRNB2 (0.34) CYP2D6CYP2C19CHRM2SLC6A2SLC6A4
SCHEMBL293923 0.78
SCHEMBL2256248 0.74 PDE4A (0.32) CYP2D6CYP2C19KCNH2CYP2C9L3MBTL1
SCHEMBL5263376 0.74
SCHEMBL18787310 0.74
SCHEMBL1477284 0.73 HRH3 (0.47) CYP2D6TAAR1CHRM1HRH1KCNH2
SCHEMBL3432982 0.73 TDP1 (0.38) CYP2D6CYP2C19KCNH2LMNACYP2C9
SCHEMBL294358 0.73
SCHEMBL456153 0.73
SCHEMBL5749732 0.72 KCNH2 (0.40) KCNH2LMNAL3MBTL1

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 CYP2D6 594/4885CYP2C19 180/4885CHRNA7 4840/4885

“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.