SCHEMBL14710285

SCHEMBL14710285

Nc1nncn1-c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PKM P14618 1/20 0.37
ALOX15 P16050 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CYP2A6 P11509 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HTT P42858 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
SCHEMBL21597614 0.80 NPC1 (0.41) MAPK1ALDH1A1ADORA2AADORA1HCAR1
SCHEMBL544340 0.79 MAPK1 (0.41) POLBMAPK1TSHRHTTKMT2A
SCHEMBL31398276 0.76 TSHR (0.43) POLBPKMALDH1A1TSHRHCAR1
SCHEMBL16278195 0.76 PKM (0.37) POLBPKMALOX15TSHRFAAH
SCHEMBL31398277 0.76 TSHR (0.43) POLBPKMALDH1A1TSHRHCAR1
SCHEMBL14204021 0.76 PKM (0.37) PKMALDH1A1TSHRFAAHMGLL
SCHEMBL15022265 0.69 MAPK9 (0.60) ALDH1A1TSHRHSD17B10NPC1RAB9A
SCHEMBL15555209 0.64 CYP1A2 (0.52) POLBPKMALOX15MAPK1ALDH1A1
SCHEMBL12491375 0.63 OPRD1 (0.46) PKMALOX15ALDH1A1TDP1GAA
SCHEMBL14204081 0.63 MAPK9 (0.32) MAPK1ALDH1A1GAAKMT2A

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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
CN-104395299-A N-aryltriazole compounds as lpar antagonists HOFFMANN LA ROCHE 2015-03-04 CN disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
CN-1035817-C Triazolyl-substituted tertiary amino compounds and their salts YAMANCUCHI PHARMACEUTICAL CO L (JP) 1997-09-10 CN disclosed
CN-1069974-A Tertiary amine compound and salt thereof that triazolyl replaces YAMANCUCHI PHARMACEUTICAL CO L (JP) 1993-03-17 CN 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 (2 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 POLB 4247/4885PKM 2118/4885ALOX15 183/4885
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 POLB 3191/4885PKM 3751/4885ALOX15 324/4885

“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.