SCHEMBL2072353

SCHEMBL2072353

CC(C)n1cc(-c2ccc(C=O)cc2)c2c(Cl)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.46
▸ TEK Q02763 10/20 0.46
▸ LCK P06239 7/20 0.46
▸ SRC P12931 3/20 0.46
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ RET P07949 5/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35

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
SCHEMBL2074938 0.85 KDR (0.64) KDRTEKLCKSRCPIK3CD
SCHEMBL7009436 0.83 KDR (0.55) KDRTEKLCKSRCPIK3CD
SCHEMBL2075050 0.81 KDR (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL7012790 0.81 KDR (0.51) KDRTEKLCKSRCPIK3CD
SCHEMBL2073307 0.79 TEK (0.76) KDRTEKLCKSRCPIK3CD
SCHEMBL5259766 0.77 KDR (0.37) KDRTEKLCKSRCPIK3CD
SCHEMBL2074978 0.76 KDR (0.53) KDRTEKLCKSRCPIK3CD
SCHEMBL461766 0.75 PIK3CD (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL7010670 0.75 KDR (0.47) KDRTEKLCKSRCCA12
SCHEMBL2075162 0.75 KDR (0.63) 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 2 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-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 (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-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.

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