SCHEMBL535609

SCHEMBL535609

O=C(O)CC(O)CCCCCCCBr

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.64
SLC22A6 Q4U2R8 1/20 0.50
GABRR1 P24046 2/20 0.43
LMNA P02545 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL667385 1.00 GPR84 (0.64) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL667943 1.00 GPR84 (0.64) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL4748559 1.00 GPR84 (0.64) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL6232898 1.00 GPR84 (0.64) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL5158401 1.00 GPR84 (0.64) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL5158740 0.98 GPR84 (0.61) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL666360 0.91 GPR84 (0.57) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL4745085 0.91 GPR84 (0.57) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL27394390 0.91 GPR84 (0.57) GPR84SLC22A6GABRR1LMNAFFAR4
SCHEMBL966415 0.86 GPR84 (0.74) GPR84SLC22A6GABRR1LMNAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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 (4 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 GPR84 261/4885SLC22A6 566/4885GABRR1 681/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 GPR84 1132/4885SLC22A6 1613/4885GABRR1 1807/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 GPR84 255/4885SLC22A6 488/4885GABRR1 613/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 GPR84 534/4885SLC22A6 454/4885GABRR1 599/4885

“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.