SCHEMBL16610883

SCHEMBL16610883

COc1ncc(Br)c2c1c(-c1ccc(CC(=O)O)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
PPARD Q03181 2/20 0.33
CYP2C9 P11712 1/20 0.33
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4B Q07343 1/20 0.32
DGAT1 O75907 1/20 0.32
EGFR P00533 2/20 0.32
BTK Q06187 2/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SRC P12931 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL16610719 0.84 PIK3CG (0.36) EGFRCCNA2CDK2SRC
SCHEMBL16611134 0.82 FFAR4 (0.36) PPARDPPARAPTGDR2PDE4BEGFR
SCHEMBL16611372 0.78 MAP4K1 (0.41) CCNA2CDK2LMNATSHR
SCHEMBL16610666 0.77 PIK3CG (0.40) EGFRSRC
SCHEMBL16611192 0.74 KCNJ5 (0.39) SMN1; SMN2HTT
SCHEMBL16611570 0.73 PPARD (0.38) PTGS2PPARDPPARADGAT1CDK2
SCHEMBL16610793 0.72 RORC (0.40)
SCHEMBL16611684 0.69 RORC (0.43) CCNA2CDK2FFAR4
SCHEMBL16610791 0.69 KCNJ5 (0.36) CYP2C9CCNA2CDK2SMN1; SMN2LMNA
SCHEMBL16611435 0.68 KCNJ5 (0.42) EGFRSRCGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGS2 550/4885PPARD 293/4885CYP2C9 3489/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGS2 550/4885PPARD 293/4885CYP2C9 3489/4885

“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.