SCHEMBL20738686

SCHEMBL20738686

Cc1nc(C(C)I)sc1C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
CTSA P10619 1/20 0.33
APLNR P35414 3/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2600726 0.80 NOS1 (0.44) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL3248176 0.76 NOS1 (0.46) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL11458946 0.76 NOS1 (0.41) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL12179230 0.76 NOS1 (0.41) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL30209038 0.76 NOS1 (0.46) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL23869812 0.76 NOS1 (0.41) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL6010207 0.76 NOS1 (0.41) NOS1CTSAAPLNRALDH1A1GAA
SCHEMBL29271546 0.73 NOS1 (0.43) NOS1CTSAAPLNR
SCHEMBL12848866 0.73 NOS1 (0.38) NOS1CTSAAPLNR
SCHEMBL9923027 0.71 NOS1 (0.37) NOS1CTSAAPLNR

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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOS1 774/4885CTSA 3870/4885APLNR 2588/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 NOS1 774/4885CTSA 3870/4885APLNR 2588/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOS1 787/4885CTSA 3739/4885APLNR 2521/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 NOS1 774/4885CTSA 3870/4885APLNR 2588/4885

“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.