SCHEMBL282227

SCHEMBL282227

COc1nc(SC)nc(Nc2ccc(C)nc2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.41
HSD17B10 Q99714 1/20 0.39
SYK P43405 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
KARS1 Q15046 1/20 0.36
FLT4 P35916 1/20 0.36
BTK Q06187 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL10127132 0.89 SYK (0.38) ZAP70HSD17B10SYKMEN1KMT2A
SCHEMBL17689748 0.89 ZAP70 (0.41) ZAP70HSD17B10SYKKDM4EMAPT
SCHEMBL283672 0.89 EGFR (0.45) ZAP70MEN1KMT2AKDM4EMAPT
SCHEMBL283679 0.84 CA1 (0.45) SYKMEN1KMT2AMAPTPOLB
SCHEMBL13070939 0.78 TNF (0.39) ZAP70SYKMAPTLMNAMAPK8
SCHEMBL13071122 0.77 NTRK1 (0.47) ZAP70MEN1KMT2AKDM4EMAPT
SCHEMBL10127077 0.77 ZAP70 (0.38) ZAP70HSD17B10SYKPOLBGAA
SCHEMBL10157923 0.75 KIT (0.38) ZAP70SYKMAPK8FLT4
SCHEMBL328299 0.74 PDE4B (0.41) ZAP70SYKMEN1KMT2AKDM4E
SCHEMBL10127075 0.74 XDH (0.42) ZAP70SYKMEN1KMT2ABTK

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 15 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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP 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-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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP 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 ZAP70 2470/4885HSD17B10 4294/4885SYK 2200/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ZAP70 2470/4885HSD17B10 4294/4885SYK 2200/4885

“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.