SCHEMBL950462

SCHEMBL950462

CN(CCN1CCOCC1)c1[c]nccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
KDM1A O60341 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CXCR4 P61073 1/20 0.36
CHRM3 P20309 1/20 0.35
CASR P41180 1/20 0.35

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
SCHEMBL951207 0.92 POLB (0.41) LMNAKDM1AHRH3POLBSIGMAR1
SCHEMBL949897 0.75 SIGMAR1 (0.49) LMNAKDM1APOLBSIGMAR1GAA
SCHEMBL6653067 0.74 CYP3A4 (0.47) GRM4LMNAPKMGAACYP3A4
SCHEMBL11440371 0.73 HTR7 (0.53) LMNAPKMKDM1APOLBSIGMAR1
SCHEMBL1481687 0.73 CXCR4 (0.49) LMNAHRH3CYP3A4CYP2C19CXCR4
SCHEMBL950527 0.72 ALDH1A1 (0.37) GRM4LMNAPKMHRH3SIGMAR1
SCHEMBL948360 0.72 LMNA (0.37) GRM4LMNAPKMKDM1AHRH3
SCHEMBL933815 0.72 HRH3 (0.40) LMNAHRH3CYP2C19
SCHEMBL4722599 0.72 CSNK1D (0.33)
SCHEMBL994388 0.71 GRM4 (0.39) GRM4LMNAPKMKDM1AHRH3

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 GRM4 4130/4885LMNA 3095/4885PKM 419/4885

“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.