SCHEMBL934066

SCHEMBL934066

CN(C)CCCNc1ccn[c]n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
DNM2 P50570 4/20 0.43
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAD52 P43351 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
FERMT2 Q96AC1 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TOP2A P11388 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL932573 0.90 CYP2C19 (0.53) HRH3DNM2CYP2C19
SCHEMBL4765777 0.83 TLR8 (0.50) HRH3DNM2NPC1KDM4EL3MBTL1
SCHEMBL13504508 0.81 DNM2 (0.47) DNM2
SCHEMBL4721190 0.79 TLR8 (0.38) HRH3DNM2CYP2C19KDM4EL3MBTL1
SCHEMBL30775279 0.73 CYP2C19 (0.50) HRH3DNM2CYP2C19NPC1POLB
SCHEMBL11107925 0.72 KDR (0.40) KDM4EL3MBTL1
SCHEMBL14980580 0.71 CYP2C19 (0.81) HRH3CYP2C19NPC1POLBSLC2A1
SCHEMBL12330669 0.71 HRH3 (0.55) HRH3DNM2CYP2C19NPC1POLB
SCHEMBL949299 0.69 KDM4E (0.48) HRH3CYP2C19NPC1POLBRAD52
SCHEMBL933786 0.69 HRH3 (0.41) HRH3CYP2C19KDM4E

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 HRH3 3114/4885DNM2 3182/4885CYP2C19 180/4885

“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.