SCHEMBL368676

SCHEMBL368676

[CH2]c1c[nH]c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.60
GPR84 Q9NQS5 1/20 0.58
LRRK2 Q5S007 1/20 0.55
KMT2A Q03164 1/20 0.55
MET P08581 2/20 0.50
TGFBR1 P36897 3/20 0.49
PDPK1 O15530 2/20 0.49
IKBKE Q14164 2/20 0.49
MAP2K1 Q02750 1/20 0.49
RPS6KA5 O75582 1/20 0.47
CDC7 O00311 3/20 0.46
CDK2 P24941 2/20 0.46
MAP4K4 O95819 2/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
GSK3B P49841 2/20 0.46
HIPK2 Q9H2X6 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CDK9 P50750 2/20 0.46
CDK5 Q00535 2/20 0.46

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
SCHEMBL5618155 0.78 TGFBR1 (0.71) AXLGPR84LRRK2KMT2ATGFBR1
SCHEMBL31097189 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL12605500 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL30280409 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL12188 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL2111969 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL5802606 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL410624 0.75 AXL (1.00) AXLGPR84LRRK2KMT2AMET
SCHEMBL412615 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET
SCHEMBL29372615 0.75 AXL (0.60) AXLGPR84LRRK2KMT2AMET

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563136-A Cyclic peptide as C5a receptor antagonist 辉瑞公司 2019-04-02 CN claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
CN-106588921-B A kind of synthetic method of the methyl formate of 7 azaindole 3 菏泽学院 2018-02-13 CN claimed
CN-106588921-A Synthetic method for 7-azaindole-3-methyl formate 菏泽学院 2017-04-26 CN claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
CN-104066730-A Heterocyclic compounds and their use as type III receptor tyrosine kinase modulators AMBIT BIOSCIENCES CORP 2014-09-24 CN claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO claimed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US claimed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US claimed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP claimed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US claimed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP claimed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US claimed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
EP-0730582-A1 ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014672-A1 ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 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 (6 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR AXL 4229/4885GPR84 428/4885LRRK2 591/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 AXL 3083/4885GPR84 1329/4885LRRK2 1993/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR AXL 4229/4885GPR84 428/4885LRRK2 591/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A AXL 4084/4885GPR84 3937/4885LRRK2 2043/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A AXL 3394/4885GPR84 2534/4885LRRK2 2518/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A AXL 4084/4885GPR84 3937/4885LRRK2 2043/4885

“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.