SCHEMBL20738599

SCHEMBL20738599

CCc1csc(C(C)I)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
ESR1 P03372 1/20 0.35
PTPRB P23467 11/20 0.34
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
PTPN1 P18031 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
OGA O60502 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
SCHEMBL2819185 0.83 SLC6A3 (0.47) SLC6A3ESR1PTPRBDRD2HTR2A
SCHEMBL18793696 0.80 SLC6A3 (0.36) SLC6A3ESR1PTPRBDRD2HTR2A
SCHEMBL19603814 0.77 PTPRB (0.35) SLC6A3ESR1PTPRBDRD2HTR2A
SCHEMBL3710526 0.74 SLC6A3 (0.33) SLC6A3ESR1PTPRB
SCHEMBL15319182 0.73 PTPRB (0.43) PTPRBPTPN1
SCHEMBL20738505 0.72
SCHEMBL12468687 0.71 KMT2A (0.44) PTPRBPTPN1NPC1GAARAB9A
SCHEMBL6220904 0.71 PTPRB (0.36) SLC6A3PTPRBPTPN1
SCHEMBL14147203 0.70
SCHEMBL20529513 0.70 PTPRB (0.32) SLC6A3PTPRBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 SLC6A3 3605/4885ESR1 1975/4885PTPRB 2515/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 SLC6A3 3602/4885ESR1 1954/4885PTPRB 2458/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 SLC6A3 3605/4885ESR1 1975/4885PTPRB 2515/4885

“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.