SCHEMBL948309

SCHEMBL948309

[c]1ncccc1OCCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
TSHR P16473 1/20 0.52
HRH3 Q9Y5N1 6/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.45
HRH2 P25021 1/20 0.44

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
SCHEMBL947471 0.93 NPC1 (0.48) CYP2D6TSHRKDM4ECYP1A2ALDH1A1
SCHEMBL2183432 0.77 KDM4E (0.56) CYP2D6TSHRHRH3KDM4EMAPK1
SCHEMBL949897 0.75 SIGMAR1 (0.49) CYP2D6ALDH1A1SIGMAR1LMNACYP2C19
SCHEMBL13188216 0.74 CHRNB2 (0.67) TSHRHRH3KDM4EMAPK1CYP1A2
SCHEMBL933304 0.74 KDM4E (0.51) CYP2D6TSHRHRH3KDM4EMAPK1
SCHEMBL1481687 0.73 CXCR4 (0.49) HRH3ALDH1A1LMNACYP2C19CYP3A4
SCHEMBL951207 0.73 POLB (0.41) CYP2D6TSHRHRH3MAPK1CYP1A2
SCHEMBL948400 0.72 HRH3 (0.50) CYP2D6TSHRHRH3KDM4EMAPK1
SCHEMBL7245903 0.72 KDM4E (0.60) CYP2D6TSHRHRH3KDM4EMAPK1
SCHEMBL7006505 0.71 MAPK1 (0.73) TSHRHRH3KDM4EMAPK1CYP1A2

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 CYP2D6 594/4885TSHR 2164/4885HRH3 3114/4885

“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.