SCHEMBL6431419

SCHEMBL6431419

COc1cc(-c2nn(C3CCC(=O)CC3)c3ncnc(N)c23)ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.61
LCK P06239 15/20 0.61
TEK Q02763 11/20 0.61
KDR P35968 6/20 0.60
EGFR P00533 6/20 0.58
BTK Q06187 1/20 0.58
LIMK1 P53667 2/20 0.57
LIMK2 P53671 1/20 0.57
FYN P06241 2/20 0.55
ABL1 P00519 4/20 0.54
HCK P08631 4/20 0.54
PIK3CD O00329 3/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 3/20 0.54
MTOR P42345 3/20 0.54
PIK3CG P48736 3/20 0.54
EPHB4 P54760 3/20 0.54
PRKDC P78527 3/20 0.54
PI4KB Q9UBF8 3/20 0.54
PLK4 O00444 1/20 0.53

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
SCHEMBL6434045 1.00 SRC (0.61) SRCLCKTEKKDREGFR
SCHEMBL6434049 0.93 EGFR (0.64) SRCLCKTEKKDREGFR
SCHEMBL4823873 0.91 LCK (0.63) SRCLCKTEKKDREGFR
SCHEMBL4827919 0.91 LCK (0.69) SRCLCKTEKKDRLIMK1
SCHEMBL6434104 0.91 LCK (0.63) SRCLCKTEKKDREGFR
SCHEMBL4827920 0.91 LCK (0.69) SRCLCKTEKKDRLIMK1
SCHEMBL6430405 0.90 LCK (0.59) SRCLCKTEKKDREGFR
SCHEMBL4827213 0.90 LCK (0.59) SRCLCKTEKKDREGFR
SCHEMBL4827216 0.90 LCK (0.59) SRCLCKTEKKDREGFR
SCHEMBL6431096 0.89 LCK (0.78) 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.