SCHEMBL21091671

SCHEMBL21091671

CCCCCC(C)(C)c1cc(N(C)C)ncn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.34
▸ DNM2 P50570 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR1 P21554 7/20 0.32
▸ ELOVL1 Q9BW60 1/20 0.32

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
SCHEMBL20122627 0.84 DNM2 (0.34) DNM2CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL23768206 0.75 DNM2 (0.40) DNM2CYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL19135622 0.73 CNR2 (0.46) CNR2CNR1
SCHEMBL21784451 0.69 CYP2D6 (0.41) CNR2CYP2D6CYP3A4CNR1
SCHEMBL20877706 0.68 CNR2 (0.40) CNR2CYP2D6CYP3A4CNR1
SCHEMBL19135617 0.68 CNR2 (0.46) CNR2CNR1
SCHEMBL22601534 0.66 CNR2 (0.40) CNR2CNR1
SCHEMBL23809442 0.65 CNR2 (0.41) CNR2CNR1
SCHEMBL23743834 0.65 CNR2 (0.43) CNR2CNR1
SCHEMBL19254601 0.65 CNR2 (0.42) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709712-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2020-07-14 — — US disclosed
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2019-06-13 — — 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-10709712-B2 Biaryl amide compounds as kinase inhibitors BRAF, RAF1, NRAS CNR2 1910/4885DNM2 2385/4885CYP1A2 1317/4885
US-20190175606-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS CNR2 1910/4885DNM2 2385/4885CYP1A2 1317/4885

“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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