SCHEMBL6430812

SCHEMBL6430812

CN1CCN(C2CCC(n3nc(-c4ccc(C(=O)Nc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.80
LCK P06239 16/20 0.80
TEK Q02763 16/20 0.80
KDR P35968 7/20 0.77
BTK Q06187 3/20 0.69
EGFR P00533 3/20 0.65
ERBB2 P04626 3/20 0.65
IGF1R P08069 3/20 0.65
ERBB4 Q15303 3/20 0.65
LIMK1 P53667 2/20 0.65
PLK4 O00444 1/20 0.65
AURKA O14965 1/20 0.65
MAPK13 O15264 1/20 0.65
ROCK2 O75116 1/20 0.65
RPS6KA5 O75582 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
PAK4 O96013 1/20 0.65
CHEK2 O96017 1/20 0.65
NTRK1 P04629 1/20 0.65

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
SCHEMBL6430816 1.00 SRC (0.80) SRCLCKTEKKDRBTK
SCHEMBL7136180 0.89 SRC (0.77) SRCLCKTEKKDRBTK
SCHEMBL5785235 0.89 SRC (1.00) SRCLCKTEKKDRBTK
SCHEMBL5787681 0.89 SRC (1.00) SRCLCKTEKKDRBTK
SCHEMBL5785233 0.89 SRC (1.00) SRCLCKTEKKDRBTK
SCHEMBL23847634 0.87 SRC (0.74) SRCLCKTEKKDRBTK
SCHEMBL23847493 0.87 SRC (0.74) SRCLCKTEKKDRBTK
SCHEMBL5786266 0.87 SRC (1.00) SRCLCKTEKKDRBTK
SCHEMBL5786264 0.87 SRC (1.00) SRCLCKTEKKDRBTK
SCHEMBL6431332 0.86 LCK (0.74) SRCLCKTEKKDRBTK

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 5 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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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 (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 SRC 46/4885LCK 1/4885TEK 1465/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885LCK 1011/4885TEK 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.