SCHEMBL5367582

SCHEMBL5367582

CSc1ccc(Nc2nc(-c3ccc(F)cc3)nc3c(C)nn(C)c23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
ABCG2 Q9UNQ0 4/20 0.38
MAPK13 O15264 2/20 0.38
GCGR P47871 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
CNR2 P34972 1/20 0.36
ABCC1 P33527 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL27695119 0.84 ABCG2 (0.47) KDM1AABCG2
Hydrochloric Acid SCHEMBL6106002 0.83 ABCG2 (0.46) KDM1AABCG2
SCHEMBL5355306 0.83 KDM1A (0.49) KDM1A
Hydrochloric Acid SCHEMBL5362034 0.82 KDM1A (0.45) KDM1ALMNATP53MAPTMEN1
SCHEMBL27715058 0.82 CHRNA7 (0.47)
SCHEMBL27715036 0.81 TNF (0.43) KDM1AABCG2PIK3CAHTR2CKCNN3
Hydrochloric Acid SCHEMBL5369394 0.81 CA2 (0.51) KDM1AABCG2MAPTMEN1MAPK1
Hydrochloric Acid SCHEMBL5445815 0.81 MEN1 (0.49) KDM1ALMNATP53MAPTMEN1
Hydrochloric Acid SCHEMBL5364497 0.81 TNF (0.42) KDM1AABCG2PIK3CAHTR2C
Hydrochloric Acid SCHEMBL5372894 0.80 ABL1 (0.39) KDM1AABCG2MAPTMEN1KMT2A

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
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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 (1 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG KDM1A 2829/4885ABCG2 3081/4885MAPK13 2426/4885

“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.