SCHEMBL22122243

SCHEMBL22122243

CNCC(C)(C)Cn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ GAA P10253 1/20 0.47
▸ IMPDH2 P12268 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ KRAS P01116 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AR P10275 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL22122364 0.85 SMN1; SMN2 (0.51) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122433 0.85 SMN1; SMN2 (0.49) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122214 0.85 SMN1; SMN2 (0.46) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL28648976 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL30975231 0.82 SMN1; SMN2 (0.48) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22152010 0.82 SMN1; SMN2 (0.48) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122212 0.80 SMN1; SMN2 (0.48) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22128385 0.78 SMN1; SMN2 (0.41) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122211 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GAAIMPDH2NPSR1POLB
SCHEMBL22122424 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAAPOLBALDH1A1MEN1

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 7 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
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO 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 3216/4885IMPDH2 4397/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS SMN1; SMN2 4348/4885GAA 3216/4885IMPDH2 4397/4885

“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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