SCHEMBL6430604

SCHEMBL6430604

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(NCc5cc6ccccc6o5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.73
LCK P06239 10/20 0.73
TEK Q02763 10/20 0.73
KDR P35968 5/20 0.73
EGFR P00533 10/20 0.68
ERBB2 P04626 10/20 0.68
IGF1R P08069 10/20 0.68
ERBB4 Q15303 10/20 0.68
ERBB3 P21860 9/20 0.68
BTK Q06187 2/20 0.60
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
NTRK1 P04629 1/20 0.54

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
SCHEMBL6430602 1.00 SRC (0.73) SRCLCKTEKKDREGFR
Acetic Acid SCHEMBL7047597 0.90 SRC (0.60) SRCLCKTEKKDREGFR
Acetic Acid SCHEMBL5814728 0.89 SRC (0.62) SRCLCKTEKKDREGFR
Acetic Acid SCHEMBL6433619 0.89 SRC (0.62) SRCLCKTEKKDREGFR
SCHEMBL4818618 0.87 SRC (0.56) SRCLCKTEKKDREGFR
SCHEMBL6431050 0.85 LCK (0.77) SRCLCKTEKKDREGFR
SCHEMBL6431052 0.85 LCK (0.67) SRCLCKTEKKDREGFR
SCHEMBL6431053 0.85 LCK (0.77) SRCLCKTEKKDREGFR
SCHEMBL6431055 0.85 LCK (0.67) SRCLCKTEKKDREGFR
SCHEMBL6434215 0.85 LCK (0.77) SRCLCKTEKKDREGFR

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.