SCHEMBL13485509

SCHEMBL13485509

Cc1ccc(Oc2cc(CN(CCCCCO)C(=O)OCc3ccccc3)c([N+](=O)[O-])c3c2OCO3)cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL13485510 0.88 CCR6 (0.35) CCR6PAX8PTGDR2
SCHEMBL13485484 0.81 CCR6 (0.40) CCR6PAX8PTGDR2PDCD1CD274
SCHEMBL13485512 0.74 EGFR (0.39) —
SCHEMBL13485511 0.73 EGFR (0.38) —
SCHEMBL15127675 0.72 CCR6 (0.43) CCR6PAX8PTGDR2ALDH1A1
SCHEMBL19272032 0.72 CCR6 (0.43) CCR6PAX8PTGDR2ALDH1A1
SCHEMBL24108145 0.71 CCR6 (0.45) CCR6PAX8PDCD1CD274ALDH1A1
SCHEMBL13485488 0.68 CCR6 (0.43) CCR6PAX8PTGDR2ALDH1A1
SCHEMBL13485507 0.68 MAPT (0.36) ALDH1A1
SCHEMBL13485433 0.68 CCR6 (0.44) CCR6PAX8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044084-B1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 — — US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 — — US disclosed
WO-2008006884-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-17 — — 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 (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-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES NR4A3, NR4A1, NR5A2 CCR6 1679/4885PAX8 549/4885PTGDR2 559/4885

“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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