SCHEMBL5137952

SCHEMBL5137952

NC1CCN(c2ccnc3ccccc23)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.56
ADRB2 P07550 1/20 0.56
PBK Q96KB5 2/20 0.50
AKT2 P31751 1/20 0.48
PDE10A Q9Y233 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C19 P33261 1/20 0.45
PIK3CA P42336 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPB Q9Y5S2 1/20 0.44
SSTR2 P30874 3/20 0.44
HRH4 Q9H3N8 1/20 0.43
F10 P00742 2/20 0.41
CNR2 P34972 1/20 0.41
DPP4 P27487 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 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
SCHEMBL30404498 0.92 PBK (0.61) NCF1ADRB2PBKKCNH2ROCK2
SCHEMBL4018098 0.91 NCF1 (0.63) NCF1ADRB2AKT2KCNH2ROCK2
SCHEMBL4173054 0.90 ADRB2 (0.44) NCF1ADRB2PBKAKT2PDE10A
SCHEMBL5593380 0.90 ADRB2 (0.44) NCF1ADRB2PBKAKT2PDE10A
SCHEMBL4967139 0.82 ADRB2 (0.56) NCF1ADRB2PDE10AKCNH2F10
SCHEMBL1224809 0.81 CHRM4 (0.55) NCF1PBKAKT2CYP2C19PIK3CA
SCHEMBL1224810 0.81 CHRM4 (0.55) NCF1PBKAKT2CYP2C19PIK3CA
SCHEMBL18980012 0.79 ADRB2 (0.49) NCF1ADRB2KCNH2
SCHEMBL29722537 0.79 ADRB2 (0.49) NCF1ADRB2KCNH2
SCHEMBL22755427 0.79 ADRB2 (0.63) NCF1ADRB2KCNH2CNR2

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-1893206-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135636-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (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-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ NCF1 1558/4885ADRB2 4290/4885PBK 930/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 NCF1 2315/4885ADRB2 1797/4885PBK 837/4885

“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.