SCHEMBL616979

SCHEMBL616979

COCCOC(=O)Nc1ccc(-c2ccnc(CCC=CNC(=O)OC(C)(C)C)c2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.41
GRM4 Q14833 4/20 0.35
F11 P03951 1/20 0.35
MAP4K4 O95819 1/20 0.35
AAK1 Q2M2I8 6/20 0.34
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
CYP17A1 P05093 1/20 0.32
LCK P06239 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
MAPKAPK2 P49137 2/20 0.32

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
SCHEMBL616050 0.93 SREBF2 (0.44) SREBF2GRM4F11MAP4K4AAK1
SCHEMBL615789 0.87 SREBF2 (0.38) SREBF2GRM4F11AAK1RAF1
SCHEMBL14691373 0.82 SREBF2 (0.45) SREBF2GRM4F11MAP4K4AAK1
SCHEMBL614167 0.82 SREBF2 (0.36) SREBF2F11
SCHEMBL613985 0.80 SREBF2 (0.36) SREBF2
SCHEMBL2236027 0.80 SREBF2 (0.36) SREBF2
SCHEMBL2233338 0.78 SREBF2 (0.40) SREBF2MAP4K4AAK1CYP17A1
SCHEMBL14690899 0.78 SREBF2 (0.37) SREBF2AAK1CYP17A1
SCHEMBL2236912 0.77 SREBF2 (0.39) SREBF2F11AAK1CYP17A1
SCHEMBL616978 0.76 AAK1 (0.34) SREBF2GRM4F11MAP4K4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SREBF2 1752/4885GRM4 4442/4885F11 3/4885

“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.