SCHEMBL6430375

SCHEMBL6430375

COc1cc(-c2nn(C3CCN(C(=O)OCc4ccccc4)CC3)c3ncnc(N)c23)ccc1NCc1ccc(C)o1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.61
SRC P12931 12/20 0.61
TEK Q02763 10/20 0.61
KDR P35968 3/20 0.61
LIMK1 P53667 1/20 0.61
LIMK2 P53671 1/20 0.61
EGFR P00533 3/20 0.50
ABL1 P00519 1/20 0.49
KIT P10721 1/20 0.49
FRK P42685 1/20 0.49
PTK6 Q13882 1/20 0.49
ERBB2 P04626 1/20 0.49
IGF1R P08069 1/20 0.49

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
SCHEMBL6685208 0.86 LCK (0.44) LCKSRCTEKKDRLIMK1
SCHEMBL5822928 0.85 SRC (0.65) LCKSRCTEKKDRLIMK1
SCHEMBL5823664 0.83 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL5804660 0.82 SRC (0.61) LCKSRCTEKKDREGFR
SCHEMBL5801721 0.82 LCK (0.66) LCKSRCTEKKDRLIMK1
SCHEMBL6431132 0.81 LCK (0.79) LCKSRCTEKKDRLIMK1
SCHEMBL6431127 0.81 LCK (0.79) LCKSRCTEKKDRLIMK1
SCHEMBL6431131 0.79 SRC (0.58) LCKSRCTEKKDRLIMK1
SCHEMBL6433390 0.79 LCK (0.74) LCKSRCTEKKDRLIMK1
SCHEMBL6433392 0.79 LCK (0.74) LCKSRCTEKKDRLIMK1

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-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885SRC 1834/4885TEK 1657/4885

“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.