SCHEMBL950527

SCHEMBL950527

CN(CCN1CCOCC1)c1nc[c]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN2A Q99250 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
GRM4 Q14833 3/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL950547 0.91 HRH3 (0.41) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL31217269 0.76 FFAR1 (0.32) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL950462 0.72 GRM4 (0.39) SIGMAR1HRH3LMNAPKMGRM4
SCHEMBL946684 0.72 SIGMAR1 (0.42) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL994388 0.71 GRM4 (0.39) ALDH1A1CYP1A2HRH3LMNAPKM
SCHEMBL6653067 0.71 CYP3A4 (0.47) ALDH1A1CYP1A2LMNAPKMGRM4
SCHEMBL948751 0.70 NPC1 (0.47) ALDH1A1CYP1A2KDM4ECYP3A4CYP2D6
SCHEMBL11440371 0.70 HTR7 (0.53) ALDH1A1SIGMAR1LMNAPKMKDM4E
SCHEMBL948360 0.70 LMNA (0.37) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL31217317 0.69 MAPK1 (0.35) ALDH1A1MAPK1CYP1A2CHRM2CHRM1

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 ALDH1A1 162/4885MAPK1 2424/4885CYP1A2 525/4885

“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.