SCHEMBL5824701

SCHEMBL5824701

CC(C)(C)c1ccc(CN2CCC(N)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
MCHR1 Q99705 1/20 0.48
TEAD1 P28347 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM1A O60341 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE2A O00408 1/20 0.43
S1PR1 P21453 2/20 0.43
HSD11B1 P28845 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9139565 0.90 TEAD1 (0.53) SIGMAR1MCHR1TEAD1MEN1KMT2A
SCHEMBL28600653 0.84 KDM4E (0.57) SIGMAR1TEAD1DRD2KDM1ALMNA
SCHEMBL2734780 0.84 KDM4E (0.57) SIGMAR1TEAD1DRD2KDM1ALMNA
SCHEMBL797735 0.83 SIGMAR1 (0.60) SIGMAR1MCHR1TEAD1MEN1KMT2A
SCHEMBL5692019 0.82 KDM1A (0.60) TEAD1MEN1KMT2AKDM1AS1PR1
SCHEMBL4215258 0.82 KDM1A (0.60) TEAD1MEN1KMT2AKDM1AS1PR1
SCHEMBL22254428 0.82 KDM1A (0.60) TEAD1MEN1KMT2AKDM1AS1PR1
SCHEMBL12449549 0.82 TEAD1 (0.58) SIGMAR1TEAD1MEN1KMT2ADRD2
SCHEMBL12891076 0.81 ALDH1A1 (0.53) SIGMAR1MCHR1TEAD1MEN1KMT2A
SCHEMBL12449569 0.81 ALDH1A1 (0.53) SIGMAR1MCHR1TEAD1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
WO-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA SIGMAR1 77/4885MCHR1 1027/4885TEAD1 3390/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA SIGMAR1 104/4885MCHR1 1260/4885TEAD1 3044/4885

“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.