SCHEMBL15724348

SCHEMBL15724348

CCOC(=O)Cn1nc2c(c1C)CC1CC21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL14487510 0.84 PTGS2 (0.40) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL23792571 0.75 MAPK1 (0.37) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL31395239 0.75 MAPK1 (0.37) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL31648301 0.75 MAPK1 (0.41) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL14487377 0.74 TRPM2 (0.40) MAPK1CYP2C19TSHRKMT2ALMNA
SCHEMBL15724347 0.74 MAPK1 (0.43) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL31648183 0.73 ALDH1A1 (0.41) MAPK1CYP2C19TSHRGSK3AGSK3B
SCHEMBL23792578 0.73 MAPK1 (0.37) MAPK1CYP2C19TSHRKMT2AHSD17B10
SCHEMBL14555698 0.72 TRPM2 (0.42) MAPK1CYP2C19TSHRHSD17B10HTT
SCHEMBL19788754 0.69 MAPK1 (0.36) MAPK1CYP2C19TSHRKMT2AHSD17B10

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 MAPK1 583/4885CYP2C19 386/4885TSHR 4824/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPK1 583/4885CYP2C19 386/4885TSHR 4824/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPK1 583/4885CYP2C19 386/4885TSHR 4824/4885

“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.

Send feedback