SCHEMBL5017587

SCHEMBL5017587

COc1cc2c(Cl)cnnc2cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.52
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ELANE P08246 1/20 0.48
KDM1A O60341 1/20 0.47
EGFR P00533 5/20 0.47
IRAK1 P51617 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
KIT P10721 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
PDPK1 O15530 1/20 0.45
FLT1 P17948 1/20 0.45
EPHA2 P29317 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
Hydrochloric Acid SCHEMBL5017306 0.99 PDE10A (0.52) PDE10APDGFRBPDGFRACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6098000 0.88 KDR (0.54) PDE10ACYP1A2CYP3A4CYP2C19FLT1
SCHEMBL5025607 0.85 PDE10A (0.55) PDE10APDGFRBPDGFRAELANEKDM1A
SCHEMBL29589019 0.82 PDE10A (0.56) PDE10ACYP1A2CYP3A4CYP2C19FLT1
SCHEMBL5245231 0.82 PDE10A (0.56) PDE10ACYP1A2CYP3A4CYP2C19FLT1
SCHEMBL371731 0.82 KDM1A (0.52) PDGFRBPDGFRAELANEKDM1AEGFR
SCHEMBL30216650 0.82 KDM1A (0.52) PDGFRBPDGFRAELANEKDM1AEGFR
SCHEMBL2062562 0.82 KDM1A (0.52) PDGFRBPDGFRAELANEKDM1AEGFR
Hydrochloric Acid SCHEMBL6435868 0.81 EGFR (0.51) PDGFRBPDGFRAELANEKDM1AEGFR
SCHEMBL17372578 0.81 ELANE (0.55) PDGFRBPDGFRAELANEKDM1AEGFR

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
CN-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 CN disclosed
EP-1309587-B1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2008-12-31 EP disclosed
EP-1309587-B1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2008-12-31 EP disclosed
US-6887874-B2 Cinnoline compounds ASTRAZENECA AB (SE) 2005-05-03 US disclosed
US-20030212055-A1 Cinnoline compounds ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 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-20030212055-A1 Cinnoline compounds VEGFA, PGF, CCR7 PDE10A 2764/4885PDGFRB 514/4885PDGFRA 730/4885

“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.