SCHEMBL20858102

SCHEMBL20858102

Cc1ccc2[nH]ncc2c1C(C)(C)Cc1ccc2c(C(C)(C)C)cc(O)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ TDO2 P48775 2/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ HASPIN Q8TF76 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL21938210 0.71 IDO1 (0.38) TRPA1IDO1ESR1
SCHEMBL20858119 0.71 TRPV1 (0.35) TRPA1IDO1
SCHEMBL17030759 0.69 IDO1 (0.41) TRPA1IDO1JAK2JAK1ESR1
SCHEMBL18408609 0.69 — —
SCHEMBL24285781 0.67 IDO1 (0.34) TRPA1IDO1FGFR1ESR1
SCHEMBL24089313 0.67 — —
SCHEMBL21024009 0.66 AXL (0.34) TRPA1
SCHEMBL24854355 0.66 JAK2 (0.31) JAK2
SCHEMBL20132851 0.66 CYP2C9 (0.34) ESR1
SCHEMBL21734001 0.65 NOS1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 — — 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 (1 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-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS HCAR2 3334/4885TRPA1 4572/4885IDO1 3856/4885

“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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