SCHEMBL21658975

SCHEMBL21658975

Nc1nccc(N2CC3CC2CO3)c1-c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 16/20 0.41
▸ MAP3K13 O43283 6/20 0.38
▸ DLK1 P80370 2/20 0.37
▸ MTOR P42345 2/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL21658974 0.83 MAP3K12 (0.40) MAP3K12MAP3K13DLK1MTORPIK3CA
SCHEMBL22074957 0.80 MAP3K12 (0.41) MAP3K12MAP3K13DLK1MTORPIK3CA
SCHEMBL21658973 0.79 MAP3K12 (0.48) MAP3K12DLK1
SCHEMBL22074961 0.78 MAP3K12 (0.50) MAP3K12MAP3K13DLK1
SCHEMBL22074786 0.77 MAP3K12 (0.33) MAP3K12
SCHEMBL21658972 0.74 MAP3K12 (0.48) MAP3K12MTORPIK3CA
SCHEMBL22074785 0.69 ROCK1 (0.49) —
SCHEMBL24454015 0.64 LRRK2 (0.47) MAP3K12MAP3K13DLK1
SCHEMBL22425587 0.64 LRRK2 (0.47) MAP3K12MAP3K13DLK1
SCHEMBL23124346 0.64 MAP3K12 (0.41) MAP3K12MAP3K13DLK1MTORPIK3CA

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 3 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-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-RE47848-E1 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2020-02-11 — — 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 (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-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 MAP3K12 1980/4885MAP3K13 1851/4885DLK1 4694/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 MAP3K12 1980/4885MAP3K13 1851/4885DLK1 4694/4885

“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.

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