SCHEMBL13485488

SCHEMBL13485488

Nc1c(CN(CCCCCO)C(=O)OCc2ccccc2)cc(Br)c2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TSHR P16473 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PTGDR2 Q9Y5Y4 6/20 0.32
▸ FAAH O00519 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 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
SCHEMBL15127675 0.90 CCR6 (0.43) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL13485484 0.86 CCR6 (0.40) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL13485433 0.85 CCR6 (0.44) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL13485510 0.80 CCR6 (0.35) CCR6PAX8PTGDR2
SCHEMBL15582141 0.76 CCR6 (0.61) CCR6PAX8ALDH1A1HDAC1HDAC6
SCHEMBL9110508 0.76 CCR6 (0.61) CCR6PAX8ALDH1A1HDAC1HDAC6
SCHEMBL19018818 0.76 CCR6 (0.61) CCR6PAX8ALDH1A1HDAC1HDAC6
SCHEMBL16586897 0.75 CCR6 (0.63) CCR6PAX8ALDH1A1HDAC1HDAC6
SCHEMBL13500128 0.72 CCR6 (0.45) CCR6PAX8ALDH1A1PTGDR2CYP3A4
SCHEMBL8030822 0.72 TSHR (0.52) CCR6PAX8TSHRALDH1A1NPC1

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 6 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-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
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 549/4885TSHR 527/4885

“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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