SCHEMBL2073176

SCHEMBL2073176

CC(C)n1cc(-c2ccc(OCC(=O)c3cccc(C(F)(F)F)c3)cc2)c2c(N)ncnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.57
TEK Q02763 9/20 0.57
LCK P06239 7/20 0.57
SRC P12931 2/20 0.55
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PRKDC P78527 1/20 0.51
RIPK1 Q13546 2/20 0.49
FLT3 P36888 1/20 0.46
ABL1 P00519 4/20 0.45
BCR P11274 2/20 0.45
BRAF P15056 1/20 0.45
EGFR P00533 4/20 0.44
ABL2 P42684 2/20 0.44
RET P07949 2/20 0.44
NTRK1 P04629 1/20 0.44
CYP1A2 P05177 1/20 0.44
YES1 P07947 1/20 0.44

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
SCHEMBL2074637 0.90 KDR (0.64) KDRTEKLCKSRCPIK3CD
SCHEMBL2073101 0.83 TEK (0.62) KDRTEKLCKSRCPIK3CD
SCHEMBL2074866 0.81 KDR (0.61) KDRTEKLCKSRCPIK3CD
SCHEMBL2073175 0.81 KDR (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL2073099 0.80 KDR (0.53) KDRTEKLCKSRCPIK3CD
SCHEMBL2074893 0.79 KDR (0.61) KDRTEKLCKSRCPIK3CD
SCHEMBL2074555 0.79 KDR (0.63) KDRTEKLCKSRCPIK3CD
SCHEMBL24711419 0.79 FLT3 (0.64) KDRTEKLCKSRCPIK3CD
SCHEMBL2074897 0.78 KDR (0.64) KDRTEKLCKSRCPIK3CD
SCHEMBL2073174 0.77 KDR (0.66) KDRTEKLCKSRCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 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 KDR 3981/4885TEK 1465/4885LCK 1/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 KDR 140/4885TEK 199/4885LCK 1/4885

“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.