SCHEMBL16224347

SCHEMBL16224347

FC(F)(F)Cc1nc(Cl)cc(N2C[C@@H]3C[C@H]2CO3)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 8/20 0.55
DLK1 P80370 1/20 0.42
PIK3R1 P27986 11/20 0.41
PIK3CA P42336 11/20 0.41
MAP3K13 O43283 1/20 0.41

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
SCHEMBL31674973 1.00 MAP3K12 (0.55) MAP3K12DLK1PIK3R1PIK3CAMAP3K13
SCHEMBL22098503 0.89 MAP3K12 (0.45) MAP3K12PIK3R1PIK3CA
SCHEMBL17510236 0.81 DLK1 (0.42) MAP3K12DLK1MAP3K13
SCHEMBL17510275 0.81 MAP3K12 (0.56) MAP3K12DLK1
SCHEMBL26604159 0.79 MAP3K12 (0.48) MAP3K12DLK1MAP3K13
SCHEMBL16210044 0.75 KMT2A (0.52) MAP3K12DLK1MAP3K13
SCHEMBL16224350 0.73 MAP3K12 (0.55) MAP3K12
SCHEMBL31674935 0.73 MAP3K12 (0.55) MAP3K12
SCHEMBL22098710 0.72 MAP3K12 (0.42) MAP3K12DLK1MAP3K13
SCHEMBL16209942 0.72 MAP3K12 (0.42) MAP3K12DLK1MAP3K13

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-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
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-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
US-10010549-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-03 US disclosed
US-10010549-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-03 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-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 US disclosed
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-05-17 US disclosed
US-20160052940-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-02-25 US disclosed
WO-2014177060-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2014-11-06 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 (5 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-10010549-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885DLK1 4694/4885PIK3R1 3175/4885
US-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885DLK1 4694/4885PIK3R1 3175/4885
US-20180133219-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885DLK1 4694/4885PIK3R1 3175/4885
US-20160052940-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885DLK1 4694/4885PIK3R1 3175/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885DLK1 4694/4885PIK3R1 3175/4885

“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.