SCHEMBL10127253

SCHEMBL10127253

CSc1nc(Nc2cnc(Cl)c(C(F)(F)F)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 11/20 0.42
SLC22A12 Q96S37 4/20 0.42
ZAP70 P43403 1/20 0.36
SYK P43405 2/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 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
SCHEMBL10127228 0.82 KIT (0.39) ZAP70SYKKITFLT3
SCHEMBL10156080 0.81 XDH (0.40) XDHSLC22A12SYKKITFLT3
SCHEMBL10127182 0.79 XDH (0.42) XDHSLC22A12ZAP70SYKGFER
SCHEMBL10127080 0.79 GFER (0.43) XDHSLC22A12ZAP70SYKGFER
SCHEMBL10155939 0.79 XDH (0.39) XDHSLC22A12GFERRXFP1PTGES
SCHEMBL10127202 0.79 GFER (0.38) XDHSLC22A12GFERRXFP1
SCHEMBL10127122 0.77 ATF1 (0.39) XDHSLC22A12ZAP70SYKALDH1A1
SCHEMBL283027 0.77 TNF (0.44) XDHSYKMEN1ALDH1A1KMT2A
SCHEMBL10127269 0.76 GFER (0.43) XDHZAP70SYKGFERRXFP1
SCHEMBL10127241 0.76 KIT (0.35) ZAP70SYKKITFLT3

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
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-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-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
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 3658/4885ZAP70 2470/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 XDH 3761/4885SLC22A12 3658/4885ZAP70 2470/4885

“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.