SCHEMBL4501407

SCHEMBL4501407

CC(=O)Nc1nc2cc3sc(NC(C)=O)nc3cc2s1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 13/20 0.71
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
CLK1 P49759 1/20 0.69
CYP2C9 P11712 1/20 0.69
FSCN1 Q16658 1/20 0.69
PDPK1 O15530 1/20 0.69
ADORA1 P30542 1/20 0.67
HTT P42858 1/20 0.65
PIK3CG P48736 2/20 0.63
PIK3CA P42336 1/20 0.63
PIK3CB P42338 1/20 0.63
PI4KB Q9UBF8 1/20 0.63

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
SCHEMBL15377151 0.90 DYRK1A (0.68) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10872327 0.85 DYRK1A (0.62) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL3142565 0.84 DYRK1A (0.63) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL31060991 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL16992945 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL130572 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10170616 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL2175580 0.83 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL856499 0.82 DYRK1A (1.00) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8247153 0.82 DYRK1A (0.71) DYRK1ANPC1RAB9ASMN1; SMN2CYP1A2

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-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 DYRK1A 3410/4885NPC1 93/4885RAB9A 696/4885

“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.