SCHEMBL15723948

SCHEMBL15723948

Cc1ccc(-c2cncnc2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.39
DGAT1 O75907 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SLC9A1 P19634 1/20 0.38
EIF4E P06730 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
GCGR P47871 1/20 0.35
ADK P55263 1/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 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
SCHEMBL18853883 0.84 NPSR1 (0.45) CYP17A1DGAT1SLC9A1EIF4ECYP1A2
SCHEMBL20466856 0.84 NCOA1 (0.42) CYP17A1DGAT1EIF4ECYP1A2CYP3A4
SCHEMBL15723936 0.77 KDM4E (0.63) CYP17A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL7013819 0.74 DGAT1 (0.41) DGAT1SLC9A1CYP1A2CYP3A4RPS6KA3
SCHEMBL15723877 0.74 COMT (0.46) GCGRPKMKMT2AMEN1NPC1
SCHEMBL7015277 0.74 RPS6KA3 (0.44) DGAT1SLC9A1CYP1A2CYP3A4CYP2D6
SCHEMBL7006231 0.74 DGAT1 (0.67) DGAT1SLC9A1CYP1A2CYP3A4ADK
SCHEMBL18854138 0.73 MAPK9 (0.48) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL15723916 0.71 KDM4E (0.46) CYP11B1CYP11B2CYP1A2MAPK9MAPK10
SCHEMBL7006695 0.70 ERBB2 (0.47) DGAT1CYP11B1CYP11B2SLC9A1CYP1A2

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 CYP17A1 77/4885DGAT1 2446/4885CYP11B1 33/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP17A1 77/4885DGAT1 2446/4885CYP11B1 33/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP17A1 77/4885DGAT1 2446/4885CYP11B1 33/4885

“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.