SCHEMBL15599173

SCHEMBL15599173

CC(C)c1cnc(OCC(C)(C)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.39
IDH1 O75874 7/20 0.38
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SSTR4 P31391 1/20 0.34
ROCK2 O75116 1/20 0.34
NR2C2 P49116 1/20 0.34
MAP2K1 Q02750 1/20 0.34
HIPK4 Q8NE63 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
BMP2K Q9NSY1 1/20 0.34

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
SCHEMBL17244906 0.89 IDH1 (0.45) AAK1IDH1
SCHEMBL17244901 0.87 AAK1 (0.39) AAK1IDH1SSTR4ROCK2NR2C2
SCHEMBL17244897 0.85 SCN9A (0.42) AAK1IDH1
SCHEMBL17244894 0.85 PDE2A (0.43) AAK1IDH1PDE2APDE10ASSTR4
SCHEMBL15599199 0.81 SCN9A (0.36) AAK1PDE2APDE10A
SCHEMBL15599218 0.80 SSTR4 (0.47) AAK1MKNK1MKNK2SSTR4
SCHEMBL17811783 0.79 MAPK1 (0.35) AAK1IDH1
SCHEMBL17693919 0.79 RORC (0.37) AAK1
Hydrochloric Acid SCHEMBL15350476 0.78 AAK1 (0.40) AAK1IDH1ROCK2NR2C2MAP2K1
SCHEMBL15094325 0.78 RAB9A (0.42) AAK1MKNK1MKNK2SSTR4

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-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-12 US disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 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 (3 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-20150322002-A1 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, SNRPD2, RDX AAK1 4841/4885IDH1 1435/4885PDE2A 1134/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 AAK1 4519/4885IDH1 1635/4885PDE2A 386/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 AAK1 4448/4885IDH1 2914/4885PDE2A 2600/4885

“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.