SCHEMBL994898

SCHEMBL994898

CN(C)C1CCN(c2[c]nccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.37
CYP2D6 P10635 3/20 0.36
HRH1 P35367 3/20 0.36
KCNH2 Q12809 3/20 0.36
PDE10A Q9Y233 2/20 0.36
DYRK1A Q13627 1/20 0.36
HTR1D P28221 2/20 0.35
HTR3A P46098 2/20 0.35
HTR6 P50406 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
MAPK8 P45983 1/20 0.35
SLC6A3 Q01959 1/20 0.35
BTK Q06187 1/20 0.35
MRGPRX2 Q96LB1 1/20 0.35
ADRA1B P35368 1/20 0.35
CHEK2 O96017 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL12468806 0.78 OGA (0.38) PDE10AMAP4K4
SCHEMBL918905 0.76 CHKA (0.39) KDM4EALDH1A1
SCHEMBL2067060 0.76 CHKA (0.34) KDM4EALDH1A1
SCHEMBL3547725 0.75 AR (0.35) ALDH1A1
SCHEMBL185803 0.74 HPGD (0.39) CYP2D6KDM4EALDH1A1
SCHEMBL2067477 0.73 PDE10A (0.39) PDE10AALDH1A1
SCHEMBL3513876 0.73 AOC3 (0.36)
SCHEMBL526372 0.71 PLD1 (0.44) HTR3AHTR6HTR1AKDM4EALDH1A1
SCHEMBL14931430 0.71 PDE10A (0.36) CYP2D6PDE10ADRD2PTPN11ALDH1A1
SCHEMBL27666138 0.70 PDE10A (0.40) CYP2D6HRH1KCNH2PDE10ADYRK1A

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 L3MBTL3 3208/4885CYP2D6 594/4885HRH1 3371/4885

“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.