SCHEMBL16216910

SCHEMBL16216910

Nc1ncc(-c2cc(C3CCCCC3)nc(C3CC3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 16/20 0.56
HRH4 Q9H3N8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16216900 0.97 MAP3K12 (0.53) MAP3K12HRH4L3MBTL1
SCHEMBL16216902 0.82 MAP3K12 (0.57) MAP3K12HRH4
SCHEMBL16216903 0.79 MAP3K12 (0.46) MAP3K12HRH4
SCHEMBL16216901 0.79 MAP3K12 (0.57) MAP3K12HRH4
SCHEMBL16216911 0.78 MAP3K12 (0.56) MAP3K12HRH4
SCHEMBL16216898 0.78 MAP3K12 (0.56) MAP3K12HRH4
SCHEMBL20147243 0.77 MAP3K12 (0.72) MAP3K12
SCHEMBL16216899 0.73 MAP3K12 (0.74) MAP3K12
SCHEMBL16210214 0.72 MAP3K12 (1.00) MAP3K12
SCHEMBL856932 0.70 MAP3K12 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-10010549-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-03 US disclosed
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 US disclosed
US-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-08-24 US disclosed
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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

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-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885HRH4 347/4885L3MBTL1 2002/4885
US-20180117044-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885HRH4 347/4885L3MBTL1 2002/4885
US-10010549-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885HRH4 356/4885L3MBTL1 1843/4885
US-20160158234-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885HRH4 347/4885L3MBTL1 2002/4885
US-10028954-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, XDH MAP3K12 2230/4885HRH4 347/4885L3MBTL1 2002/4885
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885HRH4 356/4885L3MBTL1 1843/4885
US-20140328805-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH MAP3K12 2230/4885HRH4 347/4885L3MBTL1 2002/4885

“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.