SCHEMBL21024040

SCHEMBL21024040

CNC(=O)c1c[nH]c2cnc(C(C)(C)C)nc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.39
SYK P43405 15/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
JAK3 P52333 4/20 0.38

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
SCHEMBL19657299 0.81 SYK (0.43) CREBBPSYKJAK2JAK1JAK3
SCHEMBL19657744 0.78 CREBBP (0.37) CREBBPSYKJAK2JAK1JAK3
SCHEMBL21024071 0.76 CREBBP (0.38) CREBBPSYK
SCHEMBL22822417 0.76 SYK (0.49) SYKJAK2JAK1JAK3
SCHEMBL29984777 0.74 SYK (0.36) CREBBPSYKJAK2JAK1JAK3
SCHEMBL9898861 0.74 SYK (0.36) CREBBPSYKJAK2JAK1JAK3
SCHEMBL12398487 0.72
SCHEMBL21024078 0.72 SYK (0.40) CREBBPSYKJAK2JAK1JAK3
SCHEMBL12398389 0.72
SCHEMBL21024114 0.71 CREBBP (0.42) CREBBP

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 7/4885SYK 1249/4885JAK2 130/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 CREBBP 6/4885SYK 1173/4885JAK2 117/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 CREBBP 6/4885SYK 1173/4885JAK2 117/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 CREBBP 6/4885SYK 1173/4885JAK2 117/4885

“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.