SCHEMBL17974910

SCHEMBL17974910

CC#CC(O)(c1cccc(-c2cccnc2)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PSIP1 O75475 1/20 0.44
▸ AXL P30530 1/20 0.44
▸ NPY5R Q15761 1/20 0.41
▸ CYP19A1 P11511 4/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ KIF11 P52732 2/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL17974973 0.84 KCNA5 (0.44) CYP19A1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL17974819 0.80 AKT1 (0.40) ALDH1A1PDK2
SCHEMBL10940225 0.75 NPY5R (0.64) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17974911 0.75 HTR7 (0.40) PDK2
SCHEMBL17974974 0.74 TSHR (0.52) ALDH1A1CYP3A4
SCHEMBL5673095 0.73 MKNK1 (0.53) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL3655647 0.73 NPY5R (0.43) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17974907 0.72 PTPN5 (0.58) PDK2
SCHEMBL2733410 0.72 KIF11 (0.68) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17974799 0.71 PDK1 (0.42) MEN1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — US disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — 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 (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-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B MKNK1 3811/4885MKNK2 3663/4885MEN1 1152/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B MKNK1 3811/4885MKNK2 3663/4885MEN1 1152/4885

“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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