SCHEMBL21024065

SCHEMBL21024065

CNC(=O)c1cnc2ccc(C(C)(C)C)nn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.44
▸ CLK1 P49759 1/20 0.42
▸ CREBBP Q92793 1/20 0.39
▸ FYN P06241 5/20 0.39
▸ AURKA O14965 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.35

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
SCHEMBL23872989 0.84 GRN (0.45) TGFBR1FYNAURKACSF1RRET
SCHEMBL23872992 0.82 AURKA (0.52) TGFBR1AURKACSF1RRETLTK
SCHEMBL19657302 0.81 TGFBR1 (0.47) TGFBR1CLK1CREBBPFYN
SCHEMBL15254975 0.79 TNF (0.47) TGFBR1CLK1CREBBPFYNCDK5
SCHEMBL23873192 0.77 GAA (0.44) TGFBR1AURKACSF1RRETLTK
SCHEMBL18352961 0.75 MET (0.33) TGFBR1
SCHEMBL22201892 0.74 FYN (0.36) FYN
SCHEMBL21765953 0.74 IRAK4 (0.50) TGFBR1CLK1CREBBPIRAK4
SCHEMBL13050522 0.73 FYN (0.34) FYNAURKACSF1RRETLTK
SCHEMBL22891212 0.73 HSD11B1 (0.51) TGFBR1CLK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 — — US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 — — US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 — — 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 (4 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-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 TGFBR1 1718/4885CLK1 4244/4885CREBBP 7/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 TGFBR1 1533/4885CLK1 4243/4885CREBBP 6/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TGFBR1 1533/4885CLK1 4243/4885CREBBP 6/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TGFBR1 1533/4885CLK1 4243/4885CREBBP 6/4885

“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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