SCHEMBL18250089

SCHEMBL18250089

CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 1.00
ABL1 P00519 8/20 1.00
SRC P12931 7/20 1.00
FYN P06241 5/20 1.00
RET P07949 4/20 1.00
YES1 P07947 3/20 1.00
PIK3CD O00329 7/20 0.64
PIK3CA P42336 6/20 0.64
PIK3CG P48736 6/20 0.64
PRKDC P78527 6/20 0.64
HCK P08631 5/20 0.64
PIK3CB P42338 5/20 0.64
EGFR P00533 5/20 0.64
KDR P35968 4/20 0.64
EPHB4 P54760 4/20 0.64
DDR1 Q08345 1/20 0.60
LCK P06239 3/20 0.58
LYN P07948 2/20 0.58
FGR P09769 2/20 0.58
FRK P42685 2/20 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
SCHEMBL24519592 0.86 ABL1 (0.75) MTORABL1SRCFYNRET
SCHEMBL27943343 0.82 MTOR (0.71) MTORABL1SRCFYNRET
SCHEMBL18250097 0.80 MTOR (0.67) MTORABL1SRCFYNRET
SCHEMBL30405669 0.79 MTOR (0.74) MTORABL1SRCFYNRET
SCHEMBL20553355 0.79 MTOR (0.74) MTORABL1SRCFYNRET
SCHEMBL23917412 0.79 ABL1 (1.00) MTORABL1SRCFYNRET
SCHEMBL25113289 0.79 MTOR (0.71) MTORABL1SRCFYNRET
SCHEMBL18258374 0.78 MTOR (0.67) MTORABL1SRCFYNRET
SCHEMBL18250092 0.77 PIK3CD (0.68) MTORABL1SRCFYNRET
SCHEMBL18258369 0.76 MTOR (0.72) MTORABL1SRCFYNRET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 US disclosed
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 WO 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-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 MTOR 3566/4885ABL1 269/4885SRC 3282/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 MTOR 3399/4885ABL1 204/4885SRC 2785/4885

“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.