SCHEMBL5655413

SCHEMBL5655413

CN(C)CCc1ccc(Nc2c(N)cnc3ccc(Br)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.48
TAAR1 Q96RJ0 2/20 0.43
NPC1 O15118 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
WEE1 P30291 1/20 0.38
KCNH2 Q12809 1/20 0.38
EGFR P00533 2/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL530050 0.83 MELK (0.69) MELK
SCHEMBL530051 0.82 MELK (0.47) MELKTAAR1NPC1NCOA1NCOA3
SCHEMBL529029 0.80 MELK (0.71) MELK
Ammonia Solution, Strong SCHEMBL5655416 0.80 TAAR1 (0.46) MELKTAAR1
SCHEMBL4714226 0.80 PIK3CG (0.46) MELKEGFR
SCHEMBL28805328 0.78 ALK (0.43) NPC1NCOA1NCOA3EGFRTNF
SCHEMBL30849407 0.78 ALK (0.43) NPC1NCOA1NCOA3EGFRTNF
SCHEMBL30849390 0.78 MAPT (0.49) NPC1NCOA1NCOA3EGFR
SCHEMBL31439322 0.78 NPC1 (0.41) MELKNPC1NCOA1NCOA3EGFR
SCHEMBL29207180 0.78 MAPT (0.49) NPC1NCOA1NCOA3EGFR

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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ MELK 170/4885TAAR1 3566/4885NPC1 2080/4885

“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.