SCHEMBL6431442

SCHEMBL6431442

COc1cc(-c2nn(CC3(O)CCNCC3)c3ncnc(N)c23)ccc1NC(=O)C1CC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.49
LCK P06239 11/20 0.49
TEK Q02763 7/20 0.49
ABL1 P00519 10/20 0.48
PTK6 Q13882 8/20 0.47
FYN P06241 3/20 0.46
YES1 P07947 2/20 0.46
LYN P07948 2/20 0.46
HCK P08631 2/20 0.46
FGR P09769 2/20 0.46
BLK P51451 2/20 0.46
KDR P35968 4/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
PIK3CD O00329 1/20 0.44
EGFR P00533 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
BACE1 P56817 1/20 0.44
PRKDC P78527 1/20 0.44

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
Hydrochloric Acid SCHEMBL6431443 0.99 SRC (0.49) SRCLCKTEKABL1PTK6
SCHEMBL7142801 0.91 SRC (0.51) SRCLCKTEKABL1PTK6
SCHEMBL5802027 0.88 SRC (0.54) SRCLCKTEKABL1PTK6
SCHEMBL6434104 0.84 LCK (0.63) SRCLCKTEKABL1FYN
SCHEMBL4823873 0.84 LCK (0.63) SRCLCKTEKABL1FYN
SCHEMBL4824137 0.82 LCK (0.59) SRCLCKTEKABL1FYN
SCHEMBL4824130 0.82 LCK (0.59) SRCLCKTEKABL1FYN
Acetic Acid SCHEMBL6433582 0.82 LCK (0.58) SRCLCKTEKABL1FYN
Maleic Acid SCHEMBL6431001 0.81 LCK (0.59) SRCLCKTEKABL1FYN
Maleic Acid SCHEMBL6434220 0.81 LCK (0.59) SRCLCKTEKABL1FYN

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.