SCHEMBL9963501

SCHEMBL9963501

O=C(O)C(=O)Nc1nc2cc3nc(NC(=O)C(=O)O)sc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DYRK1A Q13627 7/20 0.46
PTPN1 P18031 1/20 0.46
PIK3CG P48736 1/20 0.46
CLK1 P49759 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FSCN1 Q16658 1/20 0.45

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
SCHEMBL9963609 0.81 PTPN1 (0.56) NPC1RAB9ASMN1; SMN2DYRK1APTPN1
SCHEMBL3054828 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2DYRK1AFSCN1
SCHEMBL11549742 0.78 NPC1 (0.76) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL11258414 0.76 CASP2 (0.64) NPC1RAB9ASMN1; SMN2DYRK1AFSCN1
SCHEMBL11254514 0.75 NPC1 (0.57) NPC1RAB9ASMN1; SMN2DYRK1APIK3CG
SCHEMBL4501407 0.74 DYRK1A (0.71) NPC1RAB9ASMN1; SMN2DYRK1APIK3CG
SCHEMBL4488488 0.74 HDAC6 (0.50) NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL4496509 0.73 NPC1 (0.69) NPC1RAB9ASMN1; SMN2PIK3CG
SCHEMBL11254531 0.72 MAPK1 (0.49) NPC1RAB9ASMN1; SMN2
SCHEMBL11258673 0.72 RAB9A (0.51) NPC1RAB9ASMN1; SMN2DYRK1APTPN1

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
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
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 NPC1 93/4885RAB9A 696/4885SMN1; SMN2 251/4885

“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.