SCHEMBL6464618

SCHEMBL6464618

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCC(O)(CC(=O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 13/20 0.70
FLT3 P36888 10/20 0.70
LCK P06239 8/20 0.70
SRC P12931 8/20 0.70
TEK Q02763 7/20 0.70
KDR P35968 3/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
RGS12 O14924 1/20 0.70
NPC1 O15118 1/20 0.70
GMNN O75496 1/20 0.70
ALDH1A1 P00352 1/20 0.70
EGFR P00533 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
FYN P06241 1/20 0.70
LYN P07948 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70

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
SCHEMBL6464622 1.00 HCK (0.70) HCKFLT3LCKSRCTEK
SCHEMBL6461307 0.95 HCK (0.72) HCKFLT3LCKSRCTEK
SCHEMBL6461312 0.95 HCK (0.72) HCKFLT3LCKSRCTEK
SCHEMBL23834504 0.91 HCK (0.70) HCKFLT3LCKSRCTEK
SCHEMBL30143838 0.91 HCK (0.70) HCKFLT3LCKSRCTEK
SCHEMBL6460478 0.91 LCK (0.75) HCKFLT3LCKSRCTEK
SCHEMBL6460492 0.91 LCK (0.75) HCKFLT3LCKSRCTEK
SCHEMBL6460487 0.91 LCK (0.75) HCKFLT3LCKSRCTEK
SCHEMBL6463904 0.90 LCK (0.74) HCKFLT3LCKSRCTEK
SCHEMBL6463898 0.90 LCK (0.74) HCKFLT3LCKSRCTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN HCK 107/4885FLT3 335/4885LCK 1/4885
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI HCK 968/4885FLT3 15/4885LCK 6/4885

“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.