SCHEMBL10078633

SCHEMBL10078633

Cc1noc(-c2ccc(Br)cc2)c1CC#N.Cc1noc(-c2ccc(Br)cc2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
KDR P35968 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PTPN1 P18031 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 2/20 0.33

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
SCHEMBL1279 0.91 CYP1A2 (0.43) LPAR1FFAR4AURKAAURKBKDR
SCHEMBL2186 0.90 CYP1A2 (0.40) FFAR4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13426 0.79 LMNA (0.42) FFAR4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14792982 0.79 BRD4 (0.40) MEN1POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL11897018 0.79 SMN1; SMN2 (0.49) LPAR1FFAR4MEN1KMT2APTPN1
SCHEMBL14789804 0.77 RAB9A (0.35) FFAR4MEN1POLBKMT2ANPC1
SCHEMBL27868823 0.77 SMN1; SMN2 (0.40) AURKAAURKBKDRMEN1POLB
SCHEMBL27842851 0.77 PTGDR2 (0.43) FFAR4AURKAAURKBKDRPOLB
SCHEMBL1555 0.76 HTT (0.45) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL27842838 0.76 AURKA (0.40) LPAR1FFAR4AURKAAURKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-8217066-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2012-07-10 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 (3 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR4 37/4885AURKA 2090/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR4 39/4885AURKA 2740/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR4 39/4885AURKA 2740/4885

“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.