SCHEMBL933239

SCHEMBL933239

CN(C)CCN(C)c1nc[c]cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
KCNMA1 Q12791 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR7 P34969 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL933377 0.71 TAAR1 (0.37) HRH3CYP2D6CYP2C19HTR7
SCHEMBL358354 0.71
SCHEMBL950527 0.69 ALDH1A1 (0.37) HRH3CYP2D6CYP2C19LMNAMAPT
SCHEMBL16799187 0.68 HRH4 (0.30)
SCHEMBL994390 0.68 MAPT (0.41) HRH3HTR7MAPT
SCHEMBL933805 0.67 CYP2C19 (0.44) HRH3CYP2C19
SCHEMBL18092247 0.67 CYP2C19 (0.42) HRH3CYP2D6CYP2C19LMNAMAPT
SCHEMBL13806027 0.65 HRH3 (0.51) HRH3CYP2D6CYP2C19
SCHEMBL932370 0.64 NPC1 (0.41)
SCHEMBL23634029 0.64 HRH3 (0.37) HRH3MAPT

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 3114/4885KCNMA1 4347/4885CYP2D6 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.