SCHEMBL2541907

SCHEMBL2541907

CCCn1cc(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)c2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.60
▸ ABL1 P00519 4/20 0.56
▸ BCR P11274 3/20 0.56
▸ PRKCA P17252 3/20 0.56
▸ CDK2 P24941 9/20 0.55
▸ CDK4 P11802 7/20 0.55
▸ SLC2A1 P11166 1/20 0.55
▸ EGFR P00533 5/20 0.55
▸ SRC P12931 1/20 0.55
▸ CCNE1 P24864 2/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ CCNT1 O60563 3/20 0.49
▸ CDK9 P50750 3/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCNA2 P20248 2/20 0.49
▸ CDK7 P50613 2/20 0.49
▸ CCNH P51946 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CCNB2 O95067 1/20 0.49

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
SCHEMBL2543297 0.93 ABL1 (0.57) GSK3BABL1BCRPRKCACDK2
SCHEMBL12611404 0.89 GSK3B (0.59) GSK3BABL1BCRPRKCACDK2
SCHEMBL12263516 0.85 GSK3B (0.63) GSK3BCDK2EGFRCCNE1FLT3
SCHEMBL2540531 0.84 GSK3B (0.65) GSK3BCDK2CDK4CCNE1FLT3
SCHEMBL2539352 0.82 CDK1 (0.61) GSK3BCDK2SLC2A1CCNE1FLT3
SCHEMBL2539201 0.80 GSK3B (0.66) GSK3BCDK2EGFRCCNE1FLT3
SCHEMBL2539081 0.79 GSK3B (0.61) GSK3BCDK2CDK4FLT3CCNT1
SCHEMBL2540221 0.79 CDK2 (0.67) GSK3BCDK2CCNE1FLT3CCNT1
SCHEMBL2547226 0.79 FLT3 (0.67) GSK3BCDK2EGFRCCNE1FLT3
SCHEMBL2538166 0.78 CDK2 (0.57) GSK3BCDK2CCNE1FLT3CCNT1

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-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US claimed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US claimed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US claimed
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2014-10-09 — — US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
US-8309550-B2 Kinase inhibitors and their use as pharmaceutical agents SHANGHAI GENOMICS, INC. (CN) 2012-11-13 — — US disclosed
WO-2012126181-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER LUO YING (CN) 2012-09-27 — — WO disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — US disclosed
US-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS SHANGHAI GENOMICS, INC (CN) 2011-10-27 — — 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-20110263541-A1 KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS MAP3K20, MAP3K1, MAP3K2 GSK3B 329/4885ABL1 68/4885BCR 1654/4885
US-20140303163-A1 USE OF KINASE INHIBITORS IN PREVENTING AND TREATING INFLAMMATORY DISORDER NFKBIA, IRAK1, IRAK3 GSK3B 263/4885ABL1 216/4885BCR 1198/4885

“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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