SCHEMBL22397646

SCHEMBL22397646

Cc1nccc(N2CC(F)Cc3cc(Br)ccc32)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 10/20 0.47
MAP3K14 Q99558 2/20 0.39
CYP17A1 P05093 1/20 0.35
IDO1 P14902 3/20 0.35
LSS P48449 1/20 0.33
SRD5A1 P18405 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CDC7 O00311 1/20 0.31
CDK2 P24941 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
SCHEMBL22397637 0.86 ROCK1 (0.47) ROCK1MAP3K14CYP17A1IDO1LSS
SCHEMBL23494403 0.83 GPR6 (0.36) ROCK1MAP3K14CYP17A1IDO1CDC7
SCHEMBL22397667 0.83 ROCK1 (0.45) ROCK1CYP17A1IDO1
SCHEMBL22397733 0.81 IDO1 (0.42) ROCK1CYP17A1IDO1
SCHEMBL22397668 0.71 IDO1 (0.54) IDO1
SCHEMBL15831245 0.64 ROCK1 (1.00) ROCK1MAP3K14SRD5A1CDC7CDK2
Hydrochloric Acid SCHEMBL12813094 0.63 ROCK1 (0.97) ROCK1MAP3K14SRD5A1CDC7CDK2
SCHEMBL24138155 0.60 IDO1 (0.42) ROCK1MAP3K14CYP17A1IDO1CDC7
SCHEMBL22397523 0.59 IDO1 (0.48) ROCK1MAP3K14CYP17A1IDO1
SCHEMBL30655823 0.59 PNMT (0.50)

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
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
EP-3703692-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-09 EP 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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU ROCK1 1453/4885MAP3K14 2755/4885CYP17A1 452/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT ROCK1 1277/4885MAP3K14 2489/4885CYP17A1 469/4885

“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.