SCHEMBL9952844

SCHEMBL9952844

COc1ncc(Br)c(C)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHEK1 O14757 1/20 0.36
NTRK2 Q16620 1/20 0.36
KMT2A Q03164 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ABHD6 Q9BV23 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL9954908 0.85 CNR1 (0.38) KMT2ACNR1CNR2ABHD6MEN1
SCHEMBL3448711 0.83 CNR1 (0.40) TDP1CHEK1NTRK2KMT2ACNR1
SCHEMBL21634860 0.81 CNR1 (0.34) CHEK1NTRK2CNR1CNR2ABHD6
SCHEMBL24469608 0.81 CHEK1 (0.37) POLBTDP1CHEK1NTRK2KMT2A
SCHEMBL676649 0.79 KDM4E (0.43) POLBTDP1KMT2AMEN1L3MBTL1
SCHEMBL29150280 0.78 KDM4E (0.46) KMT2ACNR1CNR2ABHD6KDM4E
SCHEMBL31331518 0.78 CHEK1 (0.36) POLBTDP1CHEK1NTRK2KMT2A
SCHEMBL23803677 0.78 CHEK1 (0.36) POLBTDP1CHEK1NTRK2KMT2A
SCHEMBL29065888 0.77 KDM4E (0.37) POLBTDP1KMT2ACNR1CNR2
SCHEMBL3448876 0.77 KDM4E (0.37) CHEK1NTRK2KMT2ACNR1CNR2

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-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B POLB 2808/4885TDP1 1950/4885CHEK1 4256/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B POLB 2808/4885TDP1 1950/4885CHEK1 4256/4885

“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.