SCHEMBL17806604

SCHEMBL17806604

CNC(=O)c1ccc(-c2cc(F)c(C(C)C)cc2C(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.46
▸ CREBBP Q92793 2/20 0.46
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ PIP5K1C O60331 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ USP7 Q93009 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ GPR6 P46095 2/20 0.37
▸ POLQ O75417 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 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
SCHEMBL17794963 0.87 BRD4 (0.46) BRD4CREBBPTLR8TLR7PIP5K1C
SCHEMBL24958738 0.76 NPC1 (0.41) BRD4TLR8TLR7MAPTGPR6
SCHEMBL19368895 0.73 CREBBP (0.58) BRD4CREBBP
SCHEMBL24316742 0.73 CREBBP (0.52) BRD4CREBBPMAPT
SCHEMBL17794572 0.72 CREBBP (0.59) BRD4CREBBP
SCHEMBL26378194 0.71 MAPT (0.50) TLR8TLR7PIP5K1CPIK3CAPI4KA
SCHEMBL24368116 0.69 TLR8 (0.51) BRD4CREBBPTLR8TLR7PIP5K1C
SCHEMBL24959995 0.69 NPC1 (0.42) BRD4TLR8TLR7PIP5K1CPIK3CA
SCHEMBL18135101 0.69 TLR8 (0.50) BRD4TLR8TLR7PIP5K1CPIK3CA
SCHEMBL10094454 0.68 ROCK2 (0.46) RPS6KA3

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (2 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 BRD4 11/4885CREBBP 6/4885TLR8 3948/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 BRD4 11/4885CREBBP 6/4885TLR8 3948/4885

“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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