SCHEMBL14487968

SCHEMBL14487968

N#CCc1n[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ MAPK6 Q16659 3/20 0.49
▸ MAPKAPK3 Q16644 2/20 0.49
▸ MAPKAPK2 P49137 1/20 0.49
▸ FADS1 O60427 1/20 0.42
▸ KIF11 P52732 3/20 0.40
▸ TRPA1 O75762 4/20 0.39
▸ CHUK O15111 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CDK1 P06493 1/20 0.36

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
SCHEMBL10271451 0.80 MAP2K4 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL11753886 0.77 FADS1 (0.42) FADS1MAPT
SCHEMBL14487354 0.75 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL7434684 0.74 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2409215 0.73 MAP2K4 (0.58) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL30057093 0.73 KDM4E (0.47) KDM4E
SCHEMBL2202788 0.73 KDM4E (0.47) KDM4E
SCHEMBL30937483 0.72 CSNK2A1 (0.61) KIF11
SCHEMBL25241733 0.71 MAP2K4 (0.56) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL2662576 0.71 MAP2K4 (0.56) 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 19 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-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-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-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-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-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 — — EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO 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 (6 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-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-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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