SCHEMBL995078

SCHEMBL995078

CN1CCC(Oc2nc[c]cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
LRRK2 Q5S007 1/20 0.43
NSD2 O96028 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL932866 0.91 CHRM4 (0.40) HRH3LRRK2CHRM2CHRM1CHRM4
SCHEMBL12929421 0.81 LRRK2 (0.48) HRH3LRRK2SMN1; SMN2CHRM2CHRM1
SCHEMBL22683412 0.79 LRRK2 (0.35) LRRK2
SCHEMBL19764133 0.77 HRH3 (0.44) HRH3LRRK2SMN1; SMN2CHRM2CHRM1
SCHEMBL10077965 0.77 TDO2 (0.43) HRH3LRRK2SMN1; SMN2CHRM2CHRM1
SCHEMBL933319 0.77 HRH3 (0.44) HRH3LRRK2SMN1; SMN2CHRM2CHRM1
SCHEMBL13161940 0.73 CHRM4 (0.43) LRRK2CHRM2CHRM1CHRM4CHRM5
SCHEMBL19764135 0.71 MAPT (0.42) HRH3LRRK2MAPK1
SCHEMBL13343280 0.70 LRRK2 (0.41) HRH3LRRK2NSD2SMN1; SMN2CHRM2
SCHEMBL20898725 0.70 HRH3 (0.41) HRH3LRRK2NSD2SMN1; SMN2CHRM2

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
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
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

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 HRH3 3114/4885LRRK2 3990/4885NSD2 1534/4885

“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.