SCHEMBL7702773

SCHEMBL7702773

COc1cc(-c2nn([C@H]3CC[C@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 1.00
LCK P06239 17/20 1.00
TEK Q02763 16/20 1.00
KDR P35968 8/20 0.65
LIMK1 P53667 2/20 0.64
LIMK2 P53671 1/20 0.64
FYN P06241 2/20 0.61
BTK Q06187 1/20 0.56
EGFR P00533 4/20 0.54
ABL1 P00519 3/20 0.54
HCK P08631 3/20 0.54
ERBB2 P04626 2/20 0.54
ERBB4 Q15303 2/20 0.54
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
NTRK1 P04629 1/20 0.54
INSR P06213 1/20 0.54
CSF1R P07333 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
SCHEMBL7702761 1.00 SRC (1.00) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6430304 0.96 LCK (0.92) SRCLCKTEKKDRLIMK1
Acetic Acid SCHEMBL6430306 0.96 LCK (0.92) SRCLCKTEKKDRLIMK1
SCHEMBL5815010 0.96 LCK (0.92) SRCLCKTEKKDRLIMK1
SCHEMBL6431132 0.88 LCK (0.79) SRCLCKTEKKDRLIMK1
SCHEMBL6883643 0.88 LCK (0.79) SRCLCKTEKKDRLIMK1
SCHEMBL6883639 0.88 LCK (0.79) SRCLCKTEKKDRLIMK1
SCHEMBL6431127 0.88 LCK (0.79) SRCLCKTEKKDRLIMK1
SCHEMBL6431352 0.88 SRC (1.00) SRCLCKTEKKDRLIMK1
SCHEMBL6430666 0.88 SRC (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.