SCHEMBL2519767

SCHEMBL2519767

Cc1[nH]c(=O)oc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MCL1 Q07820 4/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NOS1 P29475 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ NOTUM Q6P988 1/20 0.30

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
SCHEMBL1931078 0.68 CYP1A2 (0.33) CYP1A2NOTUM
SCHEMBL15795371 0.68 PTK2 (0.34) PDGFRAMAPK8CDK5CLK4KDM4E
SCHEMBL23786830 0.67 PDGFRA (0.33) PDGFRAMAPK8CDK5CLK4
SCHEMBL1356879 0.64 CYP1A2 (0.55) CYP1A2KDM4EGAAHPGDHSD17B10
SCHEMBL1400023 0.64 PDGFRA (0.48) PDGFRAMAPK8CDK5CLK4CYP1A2
SCHEMBL12827529 0.60 PDGFRA (0.37) PDGFRAMAPK8CDK5CLK4NOS1
SCHEMBL20381151 0.60 PDGFRA (0.37) PDGFRAMAPK8CDK5CLK4NOS1
SCHEMBL1399970 0.60 PDGFRA (0.46) PDGFRAMAPK8CDK5CLK4NOS1
SCHEMBL29952631 0.59 CYP1A2 (0.37) CYP1A2KMT2AMEN1MCL1GPR35
SCHEMBL11802081 0.59 NOTUM (0.43) CYP1A2KDM4EGAAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 — — US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 — — US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 — — US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 — — US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 — — US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 — — US disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 — — CN disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PDGFRA 8/4885MAPK8 194/4885CDK5 143/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PDGFRA 8/4885MAPK8 194/4885CDK5 143/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PDGFRA 8/4885MAPK8 194/4885CDK5 143/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 PDGFRA 7/4885MAPK8 206/4885CDK5 134/4885

“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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