SCHEMBL3348340

SCHEMBL3348340

Cn1ccc2cc(-c3cncc(N)c3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
LRRK2 Q5S007 2/20 0.53
PIK3CB P42338 2/20 0.47
HSD11B1 P28845 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.43
ABL1 P00519 3/20 0.43
SRC P12931 3/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
FAAH O00519 3/20 0.42
PIK3CD O00329 1/20 0.42
EGFR P00533 1/20 0.42
HCK P08631 1/20 0.42
KDR P35968 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
EPHB4 P54760 1/20 0.42
PRKDC P78527 1/20 0.42
CYP11B1 P15538 1/20 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
Hydrochloric Acid SCHEMBL14909693 0.98 PRKCI (0.54) PRKCILRRK2PIK3CBHSD11B1IRAK4
SCHEMBL15570698 0.86 PRF1 (0.53) PRKCILRRK2PIK3CBHSD11B1ABL1
SCHEMBL20604841 0.81 HSD11B1 (0.51) PRKCILRRK2PIK3CBHSD11B1CCNC
SCHEMBL981889 0.80 PRKCI (0.66) PRKCILRRK2PIK3CBHSD11B1ABL1
SCHEMBL14923422 0.78 FAAH (0.47) PRKCILRRK2HSD11B1CCNCCDK8
SCHEMBL23187978 0.77 CYP11B2 (0.64) HSD11B1CCNCCDK8FAAHCYP11B1
SCHEMBL18029323 0.76 HSD11B1 (0.53) PRKCILRRK2HSD11B1CCNCCDK8
SCHEMBL20660663 0.73 ALDH1A1 (0.57) PRKCILRRK2PIK3CBHSD11B1ABL1
SCHEMBL30006940 0.73 PRKCI (1.00) PRKCILRRK2PIK3CBHSD11B1ABL1
SCHEMBL721707 0.73 PRKCI (1.00) PRKCILRRK2PIK3CBHSD11B1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK PRKCI 748/4885LRRK2 723/4885PIK3CB 611/4885

“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.