SCHEMBL3084822

SCHEMBL3084822

Cn1cc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(C#N)cc5)c4)cc3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.47
FGFR3 P22607 6/20 0.45
KDR P35968 3/20 0.45
FGFR1 P11362 3/20 0.45
FGFR2 P21802 3/20 0.45
FGFR4 P22455 3/20 0.45
PIK3CA P42336 3/20 0.44
ALPL P05186 3/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
HSD11B1 P28845 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1G2 P78368 1/20 0.40

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
SCHEMBL3090646 0.90 PIK3CB (0.52) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL3091107 0.90 LRRK2 (0.48) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL3073351 0.89 PIK3CA (0.54) PRF1FGFR3KDRFGFR1PIK3CA
SCHEMBL3096681 0.89 FGFR3 (0.57) PRF1FGFR3KDRFGFR1FGFR2
SCHEMBL3094941 0.89 PIK3CA (0.50) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL3095673 0.88 FGFR3 (0.56) PRF1FGFR3KDRFGFR1FGFR2
SCHEMBL3093227 0.87 FGFR3 (0.48) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL3090021 0.87 PIK3CB (0.54) PRF1FGFR3KDRFGFR1FGFR2
SCHEMBL3091883 0.86 ALPL (0.46) PRF1FGFR3KDRFGFR1FGFR2
SCHEMBL3083886 0.86 FGFR3 (0.44) FGFR3KDRFGFR1FGFR2FGFR4

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-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-09-16 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PRF1 1252/4885FGFR3 2690/4885KDR 1697/4885
US-20100234386-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG PRF1 1252/4885FGFR3 2690/4885KDR 1697/4885

“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.