SCHEMBL3612017

SCHEMBL3612017

Cc1c(-c2ccnc(NCc3cccc(Cl)c3)n2)ccnc1NCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.44
CCNT1 O60563 2/20 0.44
SYK P43405 2/20 0.43
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK1B Q9Y463 1/20 0.42
CAMK2D Q13557 1/20 0.42
CLK1 P49759 1/20 0.41
CSNK2A1 P68400 1/20 0.41
EIF2AK2 P19525 1/20 0.40
AKT3 Q9Y243 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL3602192 0.86 CAMK2D (0.58) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3612021 0.80 SYK (0.43) SYKDYRK1ACLK4DYRK1BCAMK2D
SCHEMBL3610719 0.79 CAMK2D (0.54) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3617505 0.77 MAPT (0.53) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3609046 0.77 CDK1 (0.65) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3609491 0.76 CAMK2D (0.53) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3608870 0.76 CAMK2D (0.57) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3597064 0.75 PIK3CA (0.52) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E
SCHEMBL3603990 0.74 CAMK2D (0.60) CCNT1SYKCAMK2DCSNK2A1KDM4E
SCHEMBL3605169 0.73 CDK2 (0.51) CCNT1CAMK2DCSNK2A1EIF2AK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 FLT3 4558/4885CCNT1 3196/4885SYK 2976/4885

“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.