SCHEMBL15723936

SCHEMBL15723936

CC(C)c1ncncc1-c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
DHFR P00374 1/20 0.45
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
GSTP1 P09211 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
HDAC4 P56524 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
SCHEMBL18854138 0.87 MAPK9 (0.48) KDM4EMAPK9MAPK10CYP11B1CYP11B2
SCHEMBL15723916 0.84 KDM4E (0.46) KDM4EMAPK9MAPK10CYP11B1CYP11B2
SCHEMBL20466856 0.82 NCOA1 (0.42) KDM4EMAPK9MAPK10CYP1A2CYP3A4
SCHEMBL16805043 0.81 KDM4E (0.67) KDM4EMAPK9MAPK10DHFRCYP11B1
SCHEMBL15723965 0.79 GSTP1 (0.47) KDM4EMAPK9MAPK10DHFRCYP11B1
SCHEMBL15723948 0.77 CYP17A1 (0.39) KDM4EMAPK9MAPK10CYP11B1CYP11B2
SCHEMBL15723930 0.76 CYP11B2 (0.40) KDM4EMAPK9MAPK10CYP11B1CYP11B2
SCHEMBL18853883 0.76 NPSR1 (0.45) MAPK10CYP1A2CYP17A1CYP19A1
SCHEMBL21727906 0.74 KDM4E (0.61) KDM4EMAPK9MAPK10DHFRCYP11B1
SCHEMBL20052016 0.73 PIK3CA (0.51) MAPK9DHFRPIK3CDPIK3CASRC

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 KDM4E 1590/4885MAPK9 862/4885MAPK10 943/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885MAPK9 862/4885MAPK10 943/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885MAPK9 862/4885MAPK10 943/4885

“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.