SCHEMBL17974973

SCHEMBL17974973

CC#CC(O)(c1cccnc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.44
▸ CYP3A4 P08684 4/20 0.43
▸ CYP3A5 P20815 2/20 0.43
▸ CYP19A1 P11511 7/20 0.43
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL17974910 0.84 MKNK1 (0.44) KCNA5CYP3A4CYP19A1CYP1A2CYP11B1
SCHEMBL17963574 0.81 CYP3A4 (0.42) KCNA5CYP3A4CYP3A5CYP19A1KDM4E
SCHEMBL17963323 0.80 CYP3A4 (0.46) KCNA5CYP3A4CYP3A5CYP19A1CYP1A2
SCHEMBL20724247 0.80 CYP3A4 (0.44) KCNA5CYP3A4CYP3A5CYP19A1KDM4E
SCHEMBL17974909 0.79 NR1H2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL17974816 0.78 KCNA5 (0.47) KCNA5CYP3A4CYP3A5CYP19A1CYP1A2
SCHEMBL10044245 0.74 CYP19A1 (0.49) KCNA5CYP3A4CYP3A5CYP19A1CYP1A2
SCHEMBL13887338 0.73 KCNA5 (0.53) KCNA5CYP3A4CYP3A5CYP19A1CYP1A2
SCHEMBL27888098 0.73 CYP19A1 (0.52) KCNA5CYP3A4CYP3A5CYP19A1CYP1A2
SCHEMBL17974974 0.72 TSHR (0.52) CYP3A4KDM4ETDP1

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 2 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
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 (1 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 KCNA5 4220/4885CYP3A4 4039/4885CYP3A5 3354/4885

“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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