SCHEMBL995044

SCHEMBL995044

CN(C)CCCNc1cc[c]cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
DNM2 P50570 4/20 0.43
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
FERMT2 Q96AC1 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LCK P06239 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL933094 0.90 CYP2C19 (0.56) CYP2C19DNM2EGLN2HRH3
SCHEMBL4776276 0.81 HCAR3 (0.46) DNM2MAPK1IRAK4
SCHEMBL27453738 0.78 HRH3 (0.47) KMT2AFERMT2IRAK4HRH3
SCHEMBL182723 0.78 KDM4E (0.42) CYP2C19POLBKMT2AKDM4EMAPT
SCHEMBL991740 0.78 HCAR3 (0.44) CYP2C19DNM2L3MBTL1
SCHEMBL5896994 0.77 HRH3 (0.42) RAD52KMT2AFERMT2HRH3
SCHEMBL932370 0.76 NPC1 (0.41) DNM2POLBNPC1SLC2A1APOBEC3A
SCHEMBL4777990 0.74 CHEK1 (0.37) FERMT2KDM4EHRH3LCK
SCHEMBL2180269 0.74 RAB9A (0.42) POLBNPC1SLC2A1APOBEC3ARAD52
SCHEMBL182952 0.73 HCAR3 (0.48) CYP2C19KDM4EIRAK4

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 CYP2C19 180/4885DNM2 3182/4885POLB 165/4885

“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.