SCHEMBL15723942

SCHEMBL15723942

CCc1ccc(-c2cccnc2C(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.34
GCGR P47871 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
PDE10A Q9Y233 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
USP1 O94782 2/20 0.33
GPR174 Q9BXC1 1/20 0.33

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
SCHEMBL18852471 0.81 HPGDS (0.42) PDK2PTGS2PDE10AUSP1
SCHEMBL15723888 0.80 OPRM1 (0.39) CYP1A2CYP2C19GCGROPRM1OPRK1
SCHEMBL15723953 0.79 FEN1 (0.43) ALOX5APFEN1
SCHEMBL23501969 0.76 TDO2 (0.42) PDK2
SCHEMBL15723896 0.76 CYP2A6 (0.48) PDE10A
SCHEMBL15723977 0.76 CYP2A6 (0.52) PTGS2CYP1A2CYP2C19
SCHEMBL26627849 0.76 USP7 (0.44) PDK2
SCHEMBL12533570 0.75 CYP2A6 (0.45) PTGS1PTGS2CYP1A2OPRL1PRMT5
SCHEMBL31359602 0.75 HPGD (0.45) ALOX5APFEN1PTGS1PTGS2KMT2A
SCHEMBL15723943 0.74 NPC1 (0.46) CYP1A2CYP2C19KMT2A

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
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PDK2 3460/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDK2 3460/4885ALOX5AP 1825/4885FEN1 2354/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PDK2 3460/4885ALOX5AP 1825/4885FEN1 2354/4885

“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.