SCHEMBL16210488

SCHEMBL16210488

Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 1.00

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
SCHEMBL16210380 0.95 MAP3K12 (1.00) MAP3K12
SCHEMBL20115519 0.95 MAP3K12 (1.00) MAP3K12
SCHEMBL16224438 0.95 MAP3K12 (1.00) MAP3K12
SCHEMBL16210140 0.95 MAP3K12 (1.00) MAP3K12
SCHEMBL19273551 0.91 MAP3K12 (0.82) MAP3K12
SCHEMBL16209988 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL16210010 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL16216926 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL16210402 0.90 MAP3K12 (1.00) MAP3K12
SCHEMBL20115526 0.90 MAP3K12 (0.84) MAP3K12

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US claimed
US-RE47848-E1 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2020-02-11 US claimed
US-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-08-24 US claimed
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US claimed
US-9266862-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2016-02-23 US claimed
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20200171029-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-04 US disclosed
US-RE47848-E1 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2020-02-11 US disclosed
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-20160052940-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-02-25 US disclosed
US-9266862-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2016-02-23 US disclosed
US-9266862-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2016-02-23 US disclosed
US-9266862-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2016-02-23 US disclosed
US-20140328805-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-11-06 US disclosed
US-20140328805-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-11-06 US disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 WO disclosed
US-20140328805-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-11-06 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 (8 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-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885
US-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885
US-20200171029-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885
US-10028954-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, XDH MAP3K12 2230/4885
US-20160052940-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885
US-20140328805-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885

“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.