SCHEMBL21024066

SCHEMBL21024066

CNC(=O)c1c[nH]c2c(C(C)C)nc(C(C)(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 4/20 0.43
▸ EP300 Q09472 2/20 0.43
▸ TRIM24 O15164 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRD3 Q15059 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ BRD7 Q9NPI1 1/20 0.43
▸ AR P10275 2/20 0.34
▸ CYP17A1 P05093 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CD38 P28907 1/20 0.31
▸ HAT1 O14929 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ PLK1 P53350 1/20 0.30

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
SCHEMBL22822516 0.83 CREBBP (0.40) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL22822512 0.78 CREBBP (0.35) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL21024069 0.74 CREBBP (0.41) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL21024070 0.73 CREBBP (0.40) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL21024072 0.73 CREBBP (0.40) CREBBPARCYP17A1SYKCYP3A4
SCHEMBL21024078 0.71 SYK (0.40) CREBBPEP300BRD4ALDH1A1SYK
SCHEMBL19657571 0.69 CREBBP (0.41) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL30993004 0.69 CREBBP (0.45) CREBBPEP300TRIM24BRD4BRD3
SCHEMBL30993163 0.66 CREBBP (0.39) CREBBPEP300ARCYP17A1SYK
SCHEMBL21024067 0.65 AXL (0.42) CREBBPBRD4SYK

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 CREBBP 7/4885EP300 1/4885TRIM24 2652/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 CREBBP 6/4885EP300 1/4885TRIM24 2581/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 CREBBP 6/4885EP300 1/4885TRIM24 2581/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 CREBBP 6/4885EP300 1/4885TRIM24 2581/4885

“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.

Send feedback