SCHEMBL22116747

SCHEMBL22116747

COC(=O)c1ccc(C#Cc2ccccc2Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ FFAR1 O14842 1/20 0.44
▸ CHRM2 P08172 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ SLC16A3 O15427 7/20 0.41

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
SCHEMBL22134881 0.85 FFAR1 (0.51) MAPK1FFAR1CHRM2GRM5SIGMAR1
SCHEMBL22116752 0.84 MAPK1 (0.47) MAPK1CHRM2GRM5SIGMAR1SLC16A3
SCHEMBL22134675 0.82 MAPK1 (0.44) MAPK1CHRM2GRM5SIGMAR1SLC16A3
SCHEMBL22134674 0.81 SLC16A3 (0.46) MAPK1SLC16A3
SCHEMBL16011728 0.77 MAPK1 (0.57) MAPK1CHRM2GRM5SIGMAR1
SCHEMBL31044611 0.77 MAPK1 (0.57) MAPK1CHRM2GRM5SIGMAR1
SCHEMBL22116669 0.77 SLC16A3 (0.53) SLC16A3
SCHEMBL25035676 0.75 SLC16A3 (0.43) MAPK1CHRM2GRM5SIGMAR1SLC16A3
SCHEMBL22116732 0.75 SLC16A3 (0.43) MAPK1SLC16A3
SCHEMBL22116929 0.75 KDM4E (0.40) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351570-B2 Disubstituted alkyne derivatives MERCK PATENT GMBH (DE) 2025-07-08 — — US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 — — US disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 — — US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 — — EP disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 — — WO disclosed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 — — EP disclosed
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 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-12351570-B2 Disubstituted alkyne derivatives BRCA1, MYC, PCNA MAPK1 1307/4885FFAR1 2646/4885CHRM2 4570/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA MAPK1 1307/4885FFAR1 2646/4885CHRM2 4570/4885

“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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