SCHEMBL1715748

SCHEMBL1715748

O=C(NOCC1CCCC1)c1cccnc1NCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.60
▸ RET P07949 2/20 0.54
▸ MAP3K20 Q9NYL2 2/20 0.54
▸ RIPK3 Q9Y572 2/20 0.54
▸ ABCB1 P08183 1/20 0.49
▸ CIT O14578 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ STK10 O94804 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ YES1 P07947 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ HCK P08631 1/20 0.46
▸ PDGFRB P09619 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
SCHEMBL1715244 0.85 KDR (0.47) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL1715524 0.84 KDR (0.47) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL1714694 0.84 KDR (0.47) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL1715766 0.84 KDR (0.47) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL1714615 0.83 KDR (0.47) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL31362683 0.80 KDR (0.67) KDRKDM4EALDH1A1GAA
SCHEMBL1714923 0.80 KDR (0.49) KDRMAP4K4ABL1EGFRCSF1R
SCHEMBL1715758 0.80 KDR (0.62) KDRRETMAP3K20RIPK3ABCB1
Hydrochloric Acid SCHEMBL445656 0.80 KDR (0.62) KDRRETMAP3K20RIPK3ABCB1
SCHEMBL1715843 0.77 KDR (0.52) KDRRETMAP3K20RIPK3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 — — EP claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US claimed
JP-2007513098-A — — 2007-05-24 — — JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 — — EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 — — WO claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 — — EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 — — EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 — — 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 KDR 75/4885RET 940/4885MAP3K20 4597/4885

“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.

Send feedback