SCHEMBL10128433

SCHEMBL10128433

CCCNc1nc(Nc2ccc(-c3ccccc3)nc2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
PDE4B Q07343 6/20 0.41
HPGD P15428 3/20 0.39
SYK P43405 4/20 0.38
XDH P47989 1/20 0.37
ZAP70 P43403 2/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
JAK2 O60674 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK10 P53779 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
SCHEMBL10128427 0.91 SYK (0.44) KDM4EALDH1A1PDE4BHPGDSYK
SCHEMBL10128432 0.90 SYK (0.39) KDM4EALDH1A1PDE4BHPGDSYK
SCHEMBL10128437 0.90 SYK (0.38) KDM4EALDH1A1PDE4BHPGDSYK
SCHEMBL16303168 0.84 KDM4E (0.41) KDM4EALDH1A1SYKZAP70
SCHEMBL10128425 0.82 SYK (0.37) PDE4BSYKXDHZAP70MAPK8
SCHEMBL10127150 0.81 XDH (0.46) KDM4EPDE4BXDHPTPN2PTPN1
SCHEMBL16303166 0.76 SYK (0.42) SYKZAP70
SCHEMBL16303170 0.75 LTA4H (0.39) SYKZAP70
SCHEMBL16303167 0.75 LTA4H (0.43) SYKZAP70JAK2
SCHEMBL10271848 0.71 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 KDM4E 39/4885ALDH1A1 1554/4885PDE4B 819/4885

“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.