Sugi Predict

Sugi Predict / Compounds / SCHEMBL7972259

SCHEMBL7972259

SCHEMBL7972259

CCc1cccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.40
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KIT P10721 3/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ BCL2 P10415 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PTGDR2 Q9Y5Y4 3/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL7971780 0.92 FGFR2 (0.40) FGFR1PIM1PIM3AURKBHDAC6
SCHEMBL7970945 0.91 HDAC3 (0.39) HDAC6PTGDR2
SCHEMBL7962296 0.89 NPBWR1 (0.36) HSD17B2MAPK14JAK2CDK4CCNA2
SCHEMBL7972135 0.89 PDE10A (0.37) PTGDR2CDK4CCNA2CCND1CDK2
SCHEMBL7971392 0.87 SCD (0.42) FGFR1KITHSD17B2JAK2CDK4
SCHEMBL7971678 0.87 NPC1 (0.43) HSD17B2JAK2CDK4CCNA2JAK1
SCHEMBL7971418 0.87 SCD (0.42) FGFR1KITHSD17B2SCDGUSB
SCHEMBL7971018 0.86 HSD17B10 (0.37) PTGDR2MAPT
SCHEMBL7971012 0.86 PTGDR2 (0.39) FGFR1PTGDR2
SCHEMBL7973155 0.85 F9 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 — — EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 — — US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 — — US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 — — 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 FGFR1 1522/4885PIM1 3798/4885PIM3 2949/4885

“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.