SCHEMBL952065

SCHEMBL952065

[c]1nccc(NCCN2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.49
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 5/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP2C19 P33261 5/20 0.49
HSD17B10 Q99714 4/20 0.49
TSHR P16473 4/20 0.49
CLK4 Q9HAZ1 3/20 0.49
HIF1A Q16665 2/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 3/20 0.47
TLR9 Q9NR96 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 1/20 0.46
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL949299 0.92 KDM4E (0.48) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL947613 0.76 SIGMAR1 (0.43) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL6506385 0.74 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL14068215 0.73 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL15260237 0.73 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL15416054 0.72 CXCR4 (0.54) ALDH1A1HSD17B10ALOX15NPC1RAB9A
SCHEMBL930349 0.71 MEN1 (0.48) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL947030 0.71 SIGMAR1 (0.47) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL1771953 0.71 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6ALDH1A1CYP2C19
SCHEMBL6671580 0.71 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C19TSHRLMNA

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 CYP1A2 525/4885CYP3A4 299/4885CYP2D6 594/4885

“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.