SCHEMBL15723930

SCHEMBL15723930

CC(C)c1ncncc1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 2/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
ALOX5 P09917 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL20371548 0.86 IKBKE (0.48) CYP17A1CYP3A4CYP1A2CYP2D6SLC22A12
SCHEMBL16805023 0.80 CYP17A1 (0.55) CYP11B2CYP17A1CYP3A4CYP1A2CYP2D6
SCHEMBL15723960 0.78 MAPT (0.46) CYP11B2CYP11B1CYP3A4KDM4ENPC1
SCHEMBL15723936 0.76 KDM4E (0.63) CYP11B2CYP11B1CYP17A1CYP3A4CYP1A2
SCHEMBL20466856 0.76 NCOA1 (0.42) CYP17A1CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL15723926 0.73 KCNA5 (0.49) CYP11B2CYP11B1CYP17A1CYP3A4CYP1A2
SCHEMBL21034010 0.72 CYP1A2 (0.44) CYP11B2CYP17A1CYP3A4CYP1A2CYP2D6
SCHEMBL25764676 0.70 PPARG (0.42) CYP11B2CYP11B1KDM4ENPC1MAPT
SCHEMBL20365107 0.70 IKBKE (0.57) CYP3A4CYP1A2CYP2D6SLC22A12KDM4E
SCHEMBL20365106 0.70 BRD4 (0.43) CYP17A1MAPTSMN1; SMN2ALDH1A1

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 CYP11B2 50/4885CYP11B1 33/4885CYP17A1 77/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP11B1 33/4885CYP17A1 77/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP11B2 50/4885CYP11B1 33/4885CYP17A1 77/4885

“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.