Sugi Predict

Sugi Predict / Compounds / SCHEMBL7971780

SCHEMBL7971780

SCHEMBL7971780

Cn1nc(-c2ccc(-c3cccc(CN)c3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 2/20 0.40
▸ FGFR3 P22607 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ CDK2 P24941 2/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ NMT1 P30419 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ NPBWR1 P48145 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ KIT P10721 3/20 0.34
▸ HSD17B2 P37059 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ CDK4 P11802 1/20 0.32

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
SCHEMBL7972259 0.92 FGFR1 (0.40) FGFR1CDK2PIM1PIM3AURKB
SCHEMBL7971678 0.88 NPC1 (0.43) CDK2PRKCZF7HSD17B2JAK2
SCHEMBL7962296 0.88 NPBWR1 (0.36) CDK2NPBWR1HSD17B2JAK2CDK4
SCHEMBL7972135 0.88 PDE10A (0.37) CDK2F7CDK4CCNA2CCND1
SCHEMBL7971392 0.86 SCD (0.42) FGFR1CDK2NPBWR1KITHSD17B2
SCHEMBL7971418 0.86 SCD (0.42) FGFR1KITHSD17B2SCD
SCHEMBL7971018 0.86 HSD17B10 (0.37) F7PTGDR2
SCHEMBL7971012 0.85 PTGDR2 (0.39) FGFR1PTGDR2
SCHEMBL7974911 0.85 CHEK2 (0.43) PRKCZ
SCHEMBL7971397 0.85 ALDH1A1 (0.39) FGFR2FGFR1CDK2PRKCZNPBWR1

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 FGFR2 1872/4885FGFR3 795/4885FGFR1 1522/4885

“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.