SCHEMBL15723916

SCHEMBL15723916

CC(C)c1ncncc1-c1ccc2cccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
CCNC P24863 2/20 0.46
CDK8 P49336 2/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
KDM5B Q9UGL1 1/20 0.41
TDO2 P48775 1/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NR4A2 P43354 1/20 0.40
MAPK14 Q16539 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL15723912 0.86 ALDH1A1 (0.50) CCNCCDK8ALDH1A1KDM5BMEN1
SCHEMBL15723936 0.84 KDM4E (0.63) KDM4ECCNCCDK8MAPK9MAPK10
SCHEMBL15730735 0.82 ALDH1A1 (0.50) KDM4ECCNCCDK8ALDH1A1MAPK9
SCHEMBL18854138 0.78 MAPK9 (0.48) KDM4ECCNCCDK8MAPK9MAPK10
SCHEMBL14485040 0.77 EGLN1 (0.40) KDM4ECCNCCDK8ALDH1A1MAPK9
SCHEMBL14485043 0.76 KDM4E (0.37) KDM4ECCNCCDK8ALDH1A1MAPK9
SCHEMBL15723963 0.74 RAB9A (0.62) KDM4ECCNCCDK8ALDH1A1KDM5B
SCHEMBL15730608 0.73 ALDH1A1 (0.58) CCNCCDK8ALDH1A1MEN1CASP1
SCHEMBL15723965 0.73 GSTP1 (0.47) KDM4EALDH1A1MAPK9MAPK10CYP1A2
SCHEMBL20466856 0.73 NCOA1 (0.42) KDM4EALDH1A1MAPK9MAPK10MEN1

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 1590/4885CCNC 2814/4885CDK8 2420/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885CCNC 2814/4885CDK8 2420/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885CCNC 2814/4885CDK8 2420/4885

“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.