SCHEMBL10128437

SCHEMBL10128437

CN(C)CCNc1nc(Nc2ccc(-c3ccccc3)nc2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
PDE4B Q07343 2/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
ACP1 P24666 2/20 0.36
MCHR1 Q99705 1/20 0.36
ATM Q13315 1/20 0.35
SLC2A1 P11166 1/20 0.35
MOK Q9UQ07 1/20 0.35
ZAP70 P43403 1/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
XDH P47989 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL10128433 0.90 KDM4E (0.43) SYKPDE4BZAP70KDM4EALDH1A1
SCHEMBL10128427 0.89 SYK (0.44) SYKPDE4BZAP70KDM4EALDH1A1
SCHEMBL10128432 0.88 SYK (0.39) SYKPDE4BSRCMCHR1ZAP70
SCHEMBL16303170 0.85 LTA4H (0.39) SYKMCHR1ZAP70
SCHEMBL10128425 0.80 SYK (0.37) SYKPDE4BMCHR1ZAP70XDH
SCHEMBL10127150 0.78 XDH (0.46) PDE4BKDM4EXDH
SCHEMBL16303168 0.75 KDM4E (0.41) SYKZAP70KDM4EALDH1A1
SCHEMBL16303166 0.74 SYK (0.42) SYKZAP70
SCHEMBL16303167 0.73 LTA4H (0.43) SYKZAP70JAK2JAK1JAK3
SCHEMBL10271848 0.69 SYK (0.65) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 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 (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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885PDE4B 819/4885SRC 758/4885

“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.