SCHEMBL933508

SCHEMBL933508

CN1CCN(c2[c]nccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.42
HTR3E A5X5Y0 5/20 0.42
HTR3B O95264 5/20 0.42
HTR3D Q70Z44 5/20 0.42
HTR3C Q8WXA8 5/20 0.42
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THPO P40225 1/20 0.41
ADRA2C P18825 1/20 0.38

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
SCHEMBL2067060 0.82 CHKA (0.34) KDM4EALDH1A1CYP1A2
SCHEMBL918905 0.82 CHKA (0.39) KDM4EALDH1A1CYP1A2
SCHEMBL185803 0.81 HPGD (0.39) KDM4EALDH1A1CYP1A2
SCHEMBL22530015 0.79 HSD17B10 (0.34) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL18228552 0.78 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL526372 0.78 PLD1 (0.44) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL14931430 0.77 PDE10A (0.36) ALDH1A1
SCHEMBL12468806 0.75 OGA (0.38)
SCHEMBL994898 0.75 L3MBTL3 (0.37) HTR3AHRH4HRH3KDM4EALDH1A1
SCHEMBL22530356 0.73

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 24 patents — showing the first 20. 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-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 EP disclosed
US-20140024649-A1 Substituted Benzamides and Their Uses AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-23 US disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 WO 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
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 WO disclosed
EP-2438064-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES Novartis AG (CH) 2012-04-11 EP disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 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
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 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 (7 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 HTR3A 2905/4885HTR3E 3015/4885HTR3B 3190/4885
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA HTR3A 3043/4885HTR3E 2802/4885HTR3B 2673/4885
US-20140024649-A1 Substituted Benzamides and Their Uses NISCH, BTD, NAAA HTR3A 3043/4885HTR3E 2802/4885HTR3B 2673/4885
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA HTR3A 3043/4885HTR3E 2802/4885HTR3B 2673/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HTR3A 2646/4885HTR3E 2911/4885HTR3B 3144/4885
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI HTR3A 2199/4885HTR3E 2314/4885HTR3B 2333/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HTR3A 2646/4885HTR3E 2911/4885HTR3B 3144/4885

“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.