SCHEMBL15723911

SCHEMBL15723911

CC(C)Oc1ccc(-c2cccnc2C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.43
▸ NOTUM Q6P988 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALOX5AP P20292 2/20 0.40
▸ FEN1 P39748 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ FDPS P14324 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ ACVR1B P36896 1/20 0.37
▸ ACVRL1 P37023 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37

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
SCHEMBL20371564 0.87 GAA (0.42) KMT2AMAPTPDE10ACLK4
SCHEMBL15723934 0.87 GAA (0.36) ALOX5APFEN1MAPTKDM4EPDE10A
SCHEMBL15723893 0.85 CLK4 (0.55) MAPTKDM4ECLK4CYP3A4
SCHEMBL15730625 0.83 MKNK1 (0.50) MAP4K4NOTUMKMT2AALOX5APFEN1
SCHEMBL15723943 0.82 NPC1 (0.46) KMT2AMAPTKDM4ETP53CYP3A4
SCHEMBL624800 0.82 MAP4K4 (0.55) MAP4K4KMT2AALOX5APFEN1MAPT
SCHEMBL20371568 0.80 KDM4E (0.43) MAPTKDM4E
SCHEMBL14555509 0.79 PTGS2 (0.45) NOTUMMAPTKDM4ETP53
SCHEMBL15723877 0.79 COMT (0.46) KMT2AMAPTTP53
SCHEMBL15723929 0.78 CYP2D6 (0.40) MAPTKDM4EFFAR4TP53CLK4

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 9 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-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 (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 MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAP4K4 1858/4885NOTUM 1414/4885KMT2A 2804/4885

“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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