SCHEMBL3910643

SCHEMBL3910643

N#CSc1nc(Nc2ccccc2)ncc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.62
▸ GSK3A P49840 5/20 0.53
▸ AURKA O14965 4/20 0.53
▸ PIN1 Q13526 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PTK2B Q14289 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLK1 P53350 1/20 0.41

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
SCHEMBL1917779 0.89 GSK3B (0.48) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL1917393 0.89 AURKA (0.56) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL1916351 0.88 STK17A (0.53) GSK3BGSK3AAURKAPIN1MAPT
SCHEMBL1917614 0.88 MERTK (0.47) GSK3BGSK3AAURKAMAPTMEN1
SCHEMBL1916888 0.88 GSK3B (0.47) GSK3BGSK3AAURKAALDH1A1MAPT
SCHEMBL1917454 0.88 GSK3B (0.47) GSK3BGSK3AAURKAPIN1ALDH1A1
SCHEMBL1917553 0.87 CDK2 (0.53) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL1916151 0.87 GSK3B (0.62) GSK3BGSK3AAURKAALDH1A1MAPT
SCHEMBL1918193 0.86 SYK (0.51) GSK3BGSK3AAURKACDK1CDK2
SCHEMBL1918362 0.86 EGFR (0.48) GSK3BGSK3AAURKAKDRCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7588899-B2 Fluorescent probes for use in protein kinase inhibitor binding assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
US-7588899-B2 Fluorescent probes for use in protein kinase inhibitor binding assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-15 — — US disclosed
EP-1670789-B1 FLUORESCENT PROBES FOR USE IN PROTEIN KINASE INHIBITOR BINDING ASSAY BOEHRINGER INGELHEIM PHARMA (US) 2008-11-19 — — EP disclosed
EP-1670789-B1 FLUORESCENT PROBES FOR USE IN PROTEIN KINASE INHIBITOR BINDING ASSAY BOEHRINGER INGELHEIM PHARMA (US) 2008-11-19 — — EP disclosed
US-20060263841-A1 Fluorescent probes for use in protein kinase inhibitor binding assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-11-23 — — US disclosed
US-7125996-B2 Fluorescent probes for use in protein kinase inhibitor binding assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-24 — — US disclosed
EP-1670789-A2 FLUORESCENT PROBES FOR USE IN PROTEIN KINASE INHIBITOR BINDING ASSAY BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-21 — — EP disclosed
US-20050100978-A1 Fluorescent probes for use in protein kinase inhibitor binding assay BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 — — US disclosed
WO-2005033330-A2 FLUORESCENT PROBES FOR USE IN PROTEIN KINASE INHIBITOR BINDING ASSAY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-14 — — 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-20060263841-A1 Fluorescent probes for use in protein kinase inhibitor binding assay MAP4K5, MAP3K5, MAP3K20 GSK3B 1017/4885GSK3A 844/4885AURKA 135/4885

“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.

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