SCHEMBL13485433

SCHEMBL13485433

Nc1c(CN(CCCCCO)C(=O)OCc2ccccc2)ccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRKCZ Q05513 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MC4R P32245 1/20 0.34

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
SCHEMBL13485488 0.85 CCR6 (0.43) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL13485431 0.81 CCR6 (0.40) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL15127675 0.78 CCR6 (0.43) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL19018818 0.77 CCR6 (0.61) CCR6PAX8ALDH1A1MC4RMC5R
SCHEMBL15582141 0.77 CCR6 (0.61) CCR6PAX8ALDH1A1MC4RMC5R
SCHEMBL9110508 0.77 CCR6 (0.61) CCR6PAX8ALDH1A1MC4RMC5R
SCHEMBL8030822 0.77 TSHR (0.52) CCR6PAX8TSHRALDH1A1NPC1
SCHEMBL13485510 0.76 CCR6 (0.35) CCR6PAX8
SCHEMBL16586897 0.76 CCR6 (0.63) CCR6PAX8ALDH1A1HDAC1HDAC2
SCHEMBL13485484 0.75 CCR6 (0.40) 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 5 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

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.

Send feedback