SCHEMBL950875

SCHEMBL950875

[c]1ccn(CCCN2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM1A O60341 3/20 0.40
SIGMAR1 Q99720 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL585804 0.91 ALDH1A1 (0.38) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL1998867 0.73 KEAP1 (0.71) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL948262 0.71 KEAP1 (0.44) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL31283708 0.71 KDM1A (0.44) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
Ammonia Solution, Strong SCHEMBL9400430 0.71 KEAP1 (0.68) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL11222517 0.71 KEAP1 (0.68) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL7239607 0.69 KEAP1 (0.71) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL6302848 0.68 KDM1A (0.44) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL3065336 0.67 KEAP1 (0.52) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB
SCHEMBL5091789 0.67 KEAP1 (0.62) KEAP1SMN1; SMN2KDM1ASIGMAR1POLB

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 KEAP1 3046/4885SMN1; SMN2 3760/4885KDM1A 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.