SCHEMBL994106

SCHEMBL994106

CN(C)C1CCN(c2ccn[c]n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.37
PDE10A Q9Y233 2/20 0.36
MAP4K4 O95819 1/20 0.35
PARP1 P09874 1/20 0.35
KIT P10721 2/20 0.35
FLT3 P36888 2/20 0.35
CXCR4 P61073 1/20 0.35
PRKCZ Q05513 1/20 0.34
CYP2D6 P10635 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 2/20 0.34
HTR1D P28221 2/20 0.33
HTR3A P46098 2/20 0.33
HTR6 P50406 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL12615510 0.82 HRH4 (0.41) HRH4HRH3PDE10AMAP4K4HTR1D
SCHEMBL15415235 0.76 CHKA (0.34) HRH4HRH3CXCR4
SCHEMBL1526838 0.76 CHKA (0.39) HRH4CXCR4
SCHEMBL1521529 0.75 ALDH1A1 (0.33)
SCHEMBL934301 0.75 HRH4 (0.49) HRH4HRH3CYP2D6HTR3A
SCHEMBL7303410 0.74 CYP1A2 (0.40) HRH4CXCR4
SCHEMBL15415674 0.74 CYP1A2 (0.40) HRH4CXCR4
SCHEMBL15415174 0.73
SCHEMBL1110243 0.71 PIK3CA (0.44) CYP2D6
SCHEMBL1110327 0.71 PLD1 (0.49) HRH4HRH3HTR3AHTR6HTR1A

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 5 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
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

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 HRH4 3188/4885HRH3 3114/4885L3MBTL3 3208/4885

“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.