SCHEMBL10126560

SCHEMBL10126560

CSc1nc(Nc2ccc(F)c(C(C)=O)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.42
SLC22A12 Q96S37 2/20 0.42
RXFP1 Q9HBX9 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL10156479 0.90 XDH (0.41) XDHSLC22A12RXFP1GFER
SCHEMBL10156666 0.86 PARP1 (0.37) XDHSLC22A12RXFP1GFERKMT2A
SCHEMBL10126487 0.85 XDH (0.44) XDHSLC22A12RXFP1GFERKMT2A
SCHEMBL10126548 0.85 IRAK4 (0.40) XDHSLC22A12RXFP1GFERSYK
SCHEMBL10126553 0.83 EPHX2 (0.44) EGFR
SCHEMBL10127047 0.81 GFER (0.45) XDHRXFP1GFERKMT2A
SCHEMBL10156468 0.80 XDH (0.39) XDHSLC22A12RXFP1GFERKMT2A
SCHEMBL10127107 0.80 PDE4B (0.43) XDHGFERKMT2AEGFRSYK
SCHEMBL10156488 0.80 XDH (0.41) XDHSLC22A12RXFP1GFERSYK
SCHEMBL10126587 0.78 XDH (0.39) XDHSLC22A12RXFP1GFERKMT2A

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 XDH 3761/4885SLC22A12 3658/4885RXFP1 3865/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 XDH 3761/4885SLC22A12 3658/4885RXFP1 3865/4885

“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.