SCHEMBL8350197

SCHEMBL8350197

CCC(C)(C)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ADRA2C P18825 1/20 0.52
GFER P55789 1/20 0.52
PTK2B Q14289 1/20 0.52
ESR2 Q92731 1/20 0.52
HRH3 Q9Y5N1 7/20 0.51
HDAC3 O15379 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
CHKA P35790 1/20 0.46
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
MAOB P27338 3/20 0.44
NCF1 P14598 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL20234047 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL13930910 0.86 KDM4E (0.52) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL13236762 0.85 HRH3 (0.50) MAPTHRH3MAOB
SCHEMBL2759512 0.84 HRH3 (0.51) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL8375217 0.82 MAPT (0.49) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL8351019 0.81 KDM4E (0.56) ALDH1A1KDM4EMAPTHRH3MAOB
SCHEMBL270284 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL19749071 0.81 ADRB1 (0.55) ALDH1A1KDM4EHRH3SIRT6MAOB
SCHEMBL14461239 0.79 GFER (0.58) ALDH1A1KMT2AKDM4EGAAMAPT
SCHEMBL8351022 0.79 HRH3 (0.61) HRH3MAOB

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
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-8012965-B2 e.g. 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-N3-(5,7-ethano-5,7,8-trihydro-6-methyl-1,6-naphthyridin-3-yl)-1H-1,2,4-triazole-3,5-diamine; angiogenesis inhibitor, antiproliferative agent RIGEL PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 US disclosed
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-07-24 US disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (4 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 ALDH1A1 2911/4885KMT2A 979/4885KDM4E 1843/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 ALDH1A1 3704/4885KMT2A 2054/4885KDM4E 1339/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 ALDH1A1 3704/4885KMT2A 2054/4885KDM4E 1339/4885
US-20080176847-A1 BRIDGED BICYCLIC ARYL AND BRIDGED BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, ERBB2, TYRO3 ALDH1A1 3824/4885KMT2A 2047/4885KDM4E 3533/4885

“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.