SCHEMBL22128367

SCHEMBL22128367

CC(C)(CO)Cn1cc(C#N)c2ccc(Br)nc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ELANE P08246 3/20 0.32
▸ POLB P06746 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ XDH P47989 1/20 0.30
▸ MAPT P10636 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
SCHEMBL22122433 0.76 SMN1; SMN2 (0.49) SMN1; SMN2GAAPOLBSTAT3XDH
SCHEMBL21268792 0.71 HRH3 (0.38) GAAMAPT
SCHEMBL26675714 0.66 TLR7 (0.32) —
SCHEMBL24143624 0.65 PI4KA (0.31) —
SCHEMBL24144943 0.65 TLR7 (0.33) —
SCHEMBL22122272 0.65 FFAR1 (0.36) SMN1; SMN2GAAPOLBSTAT3XDH
SCHEMBL22122243 0.64 SMN1; SMN2 (0.47) SMN1; SMN2GAAPOLBSTAT3XDH
SCHEMBL22822422 0.64 XDH (0.38) ELANEXDH
SCHEMBL22122214 0.63 SMN1; SMN2 (0.46) SMN1; SMN2GAAPOLBSTAT3XDH
SCHEMBL25427815 0.62 MTNR1A (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — 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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 4348/4885GAA 3216/4885ELANE 1549/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 4348/4885GAA 3216/4885ELANE 1549/4885

“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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