SCHEMBL2073300

SCHEMBL2073300

CC(C)n1cc(-c2ccc(Oc3ccc(C#N)c(Cl)c3)cc2)c2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.74
TEK Q02763 14/20 0.74
LCK P06239 11/20 0.74
SRC P12931 4/20 0.67
PIK3CD O00329 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CG P48736 3/20 0.49
PRKDC P78527 3/20 0.49
NSD2 O96028 1/20 0.45
NSD3 Q9BZ95 1/20 0.45
RET P07949 1/20 0.44
HCK P08631 3/20 0.43
ABL1 P00519 2/20 0.43
EGFR P00533 2/20 0.43
MTOR P42345 2/20 0.43
EPHB4 P54760 2/20 0.43

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
SCHEMBL2075298 0.85 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL2074245 0.84 KDR (0.78) KDRTEKLCKSRCPIK3CD
SCHEMBL2074580 0.84 KDR (0.78) KDRTEKLCKSRCPIK3CD
SCHEMBL2071944 0.83 KDR (0.80) KDRTEKLCKSRCPIK3CD
SCHEMBL2072013 0.83 KDR (0.77) KDRTEKLCKSRCPIK3CD
SCHEMBL2075529 0.83 KDR (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL2072195 0.82 KDR (0.68) KDRTEKLCKSRCPIK3CD
SCHEMBL2075769 0.81 KDR (0.73) KDRTEKLCKSRCPIK3CD
SCHEMBL7853816 0.81 TEK (0.79) KDRTEKLCKSRCPIK3CD
SCHEMBL29552512 0.81 TEK (1.00) 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 6 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
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO 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.