SCHEMBL18250098

SCHEMBL18250098

CCOC(Cn1nc(C#Cc2ccccc2)c2c(N)ncnc21)OCC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.60
▸ RET P07949 5/20 0.60
▸ MTOR P42345 4/20 0.53
▸ PIK3CD O00329 3/20 0.50
▸ PIK3CA P42336 3/20 0.50
▸ PIK3CG P48736 3/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ DDR1 Q08345 1/20 0.50
▸ FYN P06241 2/20 0.49
▸ YES1 P07947 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PIK3CB P42338 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 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
SCHEMBL25033269 0.79 MTOR (0.56) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18250076 0.77 ABL1 (0.59) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL22692823 0.77 ABL1 (0.72) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18250077 0.77 MTOR (0.54) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL30877161 0.77 MTOR (0.54) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18690708 0.76 ABL1 (1.00) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL29496415 0.76 ABL1 (1.00) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18258374 0.73 MTOR (0.67) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18250088 0.72 PIK3CD (0.65) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL20132634 0.71 MTOR (0.64) ABL1RETMTORPIK3CDPIK3CA

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-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
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 ABL1 269/4885RET 1817/4885MTOR 3566/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 ABL1 204/4885RET 1736/4885MTOR 3399/4885

“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.

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