SCHEMBL15723896

SCHEMBL15723896

COc1ccc(-c2cccnc2C(C)C)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
JAK2 O60674 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
FYN P06241 1/20 0.43
RPS6KA3 P51812 1/20 0.43
CYP19A1 P11511 2/20 0.42
PDE10A Q9Y233 2/20 0.41
TDO2 P48775 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15730261 0.81 CYP2A6 (0.54) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL18852471 0.80 HPGDS (0.42) MKNK1MKNK2PDE10ATDO2SLC22A12
SCHEMBL10094329 0.79 CYP2A6 (0.49) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL6676333 0.79 CYP2A6 (0.49) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL15723893 0.79 CLK4 (0.55) L3MBTL1
SCHEMBL15723953 0.78 FEN1 (0.43) MKNK1MKNK2
SCHEMBL20371606 0.77 CYP2A6 (0.47) CYP2A6HSD17B1HSD17B2JAK2MKNK1
SCHEMBL10094474 0.77 HSD17B1 (0.42) CYP2A6HSD17B1HSD17B2MKNK1MKNK2
SCHEMBL15723942 0.76 PDK2 (0.39) PDE10A
SCHEMBL2405487 0.76 MKNK1 (0.49) CYP2A6HSD17B1HSD17B2JAK2MKNK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
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 (5 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 CYP2A6 1207/4885HSD17B1 123/4885HSD17B2 297/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP2A6 1207/4885HSD17B1 123/4885HSD17B2 297/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885HSD17B1 123/4885HSD17B2 297/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885HSD17B1 123/4885HSD17B2 297/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2A6 1207/4885HSD17B1 123/4885HSD17B2 297/4885

“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.