SCHEMBL863767

SCHEMBL863767

Nc1nc(-c2cccc(Cl)c2)nc2c1c(N)nn2C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
DPP4 P27487 2/20 0.42
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
PIK3CD O00329 5/20 0.40
PIK3CA P42336 5/20 0.40
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
PRKDC P78527 5/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
ABL1 P00519 4/20 0.39
EGFR P00533 4/20 0.39
HCK P08631 4/20 0.39
SRC P12931 4/20 0.39
KDR P35968 4/20 0.39

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
SCHEMBL22409699 0.75 SRC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7315963 0.74 PIK3CD (0.38) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7317680 0.73 SRC (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL9081191 0.71 PDE4A (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL13329771 0.70 SRC (0.47) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7310219 0.69 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL863906 0.69 SRC (0.64) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL7316083 0.68 KDM4E (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20500101 0.67 SRC (0.62) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28302069 0.67 CDK1 (0.53) DPP4ADORA2AADORA1EGFRMTOR

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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 US claimed
US-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS PLEXXIKON, INC. 2012-03-29 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-20120077827-A1 ZAP-70 ACTIVE COMPOUNDS ZAP70, PRKCZ, PRKDC RET 469/4885DPP4 3737/4885KCNJ6 2149/4885

“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.