SCHEMBL6529655

SCHEMBL6529655

CCSc1nc(-c2cccc(OC)c2)cc2nccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 2/20 0.51
POLB P06746 2/20 0.42
TOP1 P11387 1/20 0.41
PDE10A Q9Y233 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TNK2 Q07912 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
SREBF2 Q12772 1/20 0.40
TLR8 Q9NR97 1/20 0.39
PKM P14618 1/20 0.39
GRM5 P41594 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
SCHEMBL6495558 0.80 CXCL12 (0.45) MAP4K2DYRK1ACLK4SMN1; SMN2KDM4E
SCHEMBL6495094 0.79 MAOB (0.45) MAP4K2DYRK1ACLK4SMN1; SMN2NPC1
SCHEMBL6498410 0.78 SYK (0.45) MAP4K2DYRK1ACLK4KDM4EALDH1A1
SCHEMBL6498406 0.78 SYK (0.43) MAP4K2DYRK1ACLK4KDM4EALDH1A1
SCHEMBL6496466 0.78 GAA (0.38) MAP4K2POLBDYRK1ACLK4SMN1; SMN2
SCHEMBL6505068 0.77 SYK (0.44) MAP4K2DYRK1ACLK4SMN1; SMN2NPC1
SCHEMBL6499730 0.76 SYK (0.42) MAP4K2DYRK1ACLK4KDM4EALDH1A1
SCHEMBL6497718 0.74 SYK (0.43) MAP4K2PDE10ADYRK1ACLK4SMN1; SMN2
SCHEMBL6495708 0.72 MCOLN3 (0.45) MAP4K2POLBDYRK1ACLK4RAB9A
SCHEMBL6417852 0.71 TNK2 (0.46) MAP4K2POLBDYRK1ACLK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US disclosed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP disclosed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 US disclosed
EP-1278750-A1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-01-29 EP disclosed
WO-2001083485-A1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-08 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-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives XRCC6, XRN2, HRH2 MAP4K2 2126/4885POLB 673/4885TOP1 41/4885

“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.