SCHEMBL3500983

SCHEMBL3500983

O=C(Nc1nc2[nH]nc(-c3cccs3)c2s1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
GAA P10253 2/20 0.61
GFER P55789 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
KMT2A Q03164 5/20 0.58
HTT P42858 4/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 4/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 6/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.47
ADCY1 Q08828 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL13256284 0.83 F2 (0.54) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL3500537 0.81 PARP1 (0.54) SMN1; SMN2KMT2AHTTLMNAALDH1A1
SCHEMBL3501713 0.81 ADORA2A (0.60) MAPTSMN1; SMN2KMT2AHTTMEN1
SCHEMBL13256304 0.80 RAB9A (0.65) MAPTGFERSMN1; SMN2KMT2AHTT
SCHEMBL13256173 0.80 PTGDR2 (0.61) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL14454844 0.79 NPC1 (0.54) MAPTSMN1; SMN2KMT2AHTTMEN1
SCHEMBL13256289 0.79 MEN1 (0.58) MAPTSMN1; SMN2KMT2AHTTMEN1
SCHEMBL14454809 0.78 NPC1 (0.52) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL13256165 0.78 NPC1 (0.63) MAPTGAASMN1; SMN2KMT2AMEN1
SCHEMBL13283501 0.78 ADORA3 (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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 (2 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 MAPT 2003/4885GAA 4019/4885GFER 4729/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 MAPT 2003/4885GAA 4019/4885GFER 4729/4885

“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.