SCHEMBL5100381

SCHEMBL5100381

Fc1ccccc1Sc1ncc2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.39
ALPL P05186 2/20 0.38
GSK3B P49841 4/20 0.38
GSK3A P49840 3/20 0.38
HAO1 Q9UJM8 1/20 0.36
PIM1 P11309 3/20 0.33
CNR1 P21554 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR5A P47898 1/20 0.33
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4020901 0.89 GSK3A (0.39) DCUN1D1ALPLGSK3BGSK3ACNR1
SCHEMBL5097334 0.84 GSK3B (0.40) DCUN1D1ALPLGSK3BGSK3ACNR1
SCHEMBL5107013 0.83 DCUN1D1 (0.42) DCUN1D1ALPLGSK3BGSK3ACNR1
SCHEMBL5093625 0.81 GSK3B (0.40) DCUN1D1GSK3BGSK3AHAO1CNR1
SCHEMBL4011970 0.81 AURKA (0.47) DCUN1D1ALPLGSK3BGSK3AAURKA
SCHEMBL14038968 0.81 HAO1 (0.33) HAO1CHRNA7
SCHEMBL3254089 0.76 IGF1R (0.41) ALPLGSK3BGSK3AAURKAAURKB
SCHEMBL5097291 0.75 MAPK14 (0.46) GSK3BGSK3APIM1AURKA
SCHEMBL16447913 0.72 AURKA (0.43) DCUN1D1GSK3BGSK3ACNR1AURKA
SCHEMBL5107082 0.70 MAPK14 (0.44) PIM1

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-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US claimed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP claimed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO claimed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 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-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 DCUN1D1 2414/4885ALPL 4785/4885GSK3B 1767/4885

“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.