SCHEMBL994388

SCHEMBL994388

CN(CCN1CCOCC1)c1[c]cccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.39
LMNA P02545 4/20 0.38
KDM1A O60341 3/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PKM P14618 1/20 0.36
NTSR1 P30989 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL948868 0.92 LMNA (0.39) LMNAKDM1AALDH1A1HRH3MAPT
SCHEMBL1077472 0.74 ALDH1A1 (0.36) LMNAALDH1A1HRH3MAPTCYP1A2
SCHEMBL933173 0.73 CYP2D6 (0.41) LMNAALDH1A1HRH3KDM4ESMN1; SMN2
SCHEMBL948263 0.73 POLB (0.41) LMNAKDM4EHPGD
SCHEMBL950527 0.71 ALDH1A1 (0.37) GRM4LMNAALDH1A1GAAHRH3
SCHEMBL950462 0.71 GRM4 (0.39) GRM4LMNAKDM1AGAAHRH3
SCHEMBL6653067 0.70 CYP3A4 (0.47) GRM4LMNAALDH1A1GAAPKM
SCHEMBL935029 0.69 L3MBTL1 (0.48) LMNAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2067731 0.69
SCHEMBL18788938 0.69 ALDH1A1 (0.35) GRM4LMNAALDH1A1KDM4ESMN1; SMN2

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 GRM4 4130/4885LMNA 3095/4885KDM1A 2438/4885

“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.