SCHEMBL15723643

SCHEMBL15723643

CC(C)c1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ MAPK6 Q16659 3/20 0.52
▸ MAPKAPK3 Q16644 2/20 0.52
▸ MAPKAPK2 P49137 1/20 0.52
▸ KIF11 P52732 4/20 0.45
▸ FADS1 O60427 1/20 0.45
▸ TRPA1 O75762 4/20 0.42
▸ CHUK O15111 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ CCR2 P41597 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
SCHEMBL16675888 0.87 TRPA1 (0.51) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL29426515 0.80 PARP1 (0.42) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL29426569 0.80 MAPT (0.44) GSK3B
SCHEMBL24076896 0.80 MAPT (0.44) GSK3B
SCHEMBL26732910 0.80 PARP1 (0.42) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL13122324 0.78 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL12963901 0.78 ITK (0.43) MAP2K4KIF11FADS1CHUKGSK3B
SCHEMBL2409215 0.76 MAP2K4 (0.58) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL12120600 0.76 HTR1D (0.41) KIF11TRPA1KDM4EGSK3BMETAP2
SCHEMBL12123795 0.76 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2

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 16 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-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — 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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 — — US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 — — US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 — — 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 (8 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAP2K4 3362/4885MAPK1 2761/4885MAPK6 3596/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C MAP2K4 4377/4885MAPK1 3291/4885MAPK6 3194/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP2K4 4272/4885MAPK1 583/4885MAPK6 866/4885

“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.

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