SCHEMBL6431352

SCHEMBL6431352

COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
LCK P06239 18/20 1.00
TEK Q02763 17/20 1.00
KDR P35968 7/20 0.76
LIMK1 P53667 2/20 0.76
LIMK2 P53671 1/20 0.76
FYN P06241 2/20 0.66
BTK Q06187 1/20 0.64
ABL1 P00519 3/20 0.63
KIT P10721 1/20 0.63
FRK P42685 1/20 0.63
PTK6 Q13882 1/20 0.63
EGFR P00533 2/20 0.58
HCK P08631 2/20 0.58
PLK4 O00444 1/20 0.58
AURKA O14965 1/20 0.58
PAK4 O96013 1/20 0.58
CHEK2 O96017 1/20 0.58
ERBB2 P04626 1/20 0.58
NTRK1 P04629 1/20 0.58

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
SCHEMBL5804460 1.00 SRC (1.00) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6431627 0.96 SRC (0.93) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6431632 0.96 SRC (0.93) SRCLCKTEKKDRLIMK1
SCHEMBL6430663 0.91 SRC (0.83) SRCLCKTEKKDRLIMK1
SCHEMBL6430666 0.91 SRC (0.83) SRCLCKTEKKDRLIMK1
SCHEMBL6431644 0.90 LCK (0.82) SRCLCKTEKKDRLIMK1
SCHEMBL6431640 0.90 LCK (0.82) SRCLCKTEKKDRLIMK1
SCHEMBL6430552 0.90 LCK (0.82) SRCLCKTEKKDRLIMK1
SCHEMBL6430556 0.90 LCK (0.82) SRCLCKTEKKDRLIMK1
SCHEMBL6434072 0.90 LCK (0.81) SRCLCKTEKKDRLIMK1

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 6 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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO 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.