SCHEMBL4029751

SCHEMBL4029751

C=C(C(N)=O)c1n[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ YTHDC1 Q96MU7 1/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ FLT3 P36888 2/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53
▸ CTNNB1 P35222 3/20 0.51
▸ WNT3A P56704 3/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ EPHB3 P54753 1/20 0.48
▸ PDPK1 O15530 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CSNK2A1 P68400 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
SCHEMBL27750743 0.82 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL82761 0.82 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1AFLT3
Hydrochloric Acid SCHEMBL30404733 0.81 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1AFLT3
Hydrochloric Acid SCHEMBL2175299 0.81 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1AFLT3
Hydrochloric Acid SCHEMBL29962256 0.81 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1AFLT3
Hydrochloric Acid SCHEMBL5071439 0.81 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL28139037 0.81 KDM4E (0.60) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL7668372 0.78 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL31148407 0.78 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
Oxalic Acid SCHEMBL6033591 0.78 FLT3 (0.58) KDM4EYTHDC1STAT3HIF1AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 — — EP disclosed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 — — EP disclosed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 — — EP disclosed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 — — EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 — — US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 — — US disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 — — EP disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 — — EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 — — WO disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 — — 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-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 KDM4E 3115/4885YTHDC1 4869/4885STAT3 3170/4885

“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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