SCHEMBL3499093

SCHEMBL3499093

Nc1nc2[nH]nc(-c3ccc(O)cc3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
WDR5 P61964 1/20 0.49
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
PDPK1 O15530 1/20 0.42
HSP90AB1 P08238 1/20 0.42
FGFR3 P22607 1/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LTA4H P09960 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ADORA1 P30542 1/20 0.39
MAPK1 P28482 3/20 0.39
MAP2K4 P45985 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
MAPK6 Q16659 3/20 0.39
MAPKAPK3 Q16644 2/20 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
SCHEMBL3499091 0.85 ALDH1A1 (0.50) GAAMAPK1HTT
SCHEMBL3498007 0.80 MYC (0.52) MYCWDR5ADORA1
SCHEMBL13256287 0.74 GSK3B (0.55)
SCHEMBL3500820 0.71 MYC (0.50) MYCWDR5HSP90AB1
SCHEMBL3501620 0.71 MYC (0.50) MYCWDR5GAAADORA1MAPK1
SCHEMBL3498262 0.71 TGFBR1 (0.46) ADORA1L3MBTL1PIK3CG
SCHEMBL30257627 0.69 SMN1; SMN2 (0.65) MYCWDR5GAAMGAMSI
SCHEMBL4752792 0.69 RPS6KA3 (0.47) GAAMAPK1RPS6KA3HTT
SCHEMBL11325 0.68 PIK3CG (0.49) FGFR1FGFR2PDPK1HSP90AB1FGFR3
SCHEMBL3501102 0.67 CYP1A2 (0.43) GAAIKBKB

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-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
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 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 (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 MYC 764/4885WDR5 1623/4885FGFR1 903/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 MYC 764/4885WDR5 1623/4885FGFR1 903/4885

“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.