SCHEMBL9898895

SCHEMBL9898895

Cc1cc2nc(C)[nH]c(=O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 5/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
TYMS P04818 5/20 0.41
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
IP6K1 Q92551 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3125699 0.81 FABP6 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3118150 0.78 GDA (0.41) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL13519635 0.74 LMNA (0.44) KDM4EALDH1A1NPC1USP2MAPT
SCHEMBL3126613 0.73 SMN1; SMN2 (0.51) KDM4EALDH1A1NPC1GAAMAPT
SCHEMBL17184244 0.73 PARP1 (0.55) KDM4EALDH1A1PARP1
SCHEMBL20927158 0.72 KDM4E (0.52) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8237226 0.71 PARP1 (0.47) ALDH1A1SMN1; SMN2PARP1TNKS2IP6K1
SCHEMBL4141412 0.71 CDC7 (0.47) KDM4EALDH1A1NPC1USP2GLA
SCHEMBL8278856 0.71 PARP1 (0.50) KDM4EALDH1A1NPC1USP2GLA
SCHEMBL8529995 0.68 KDM4E (0.66) KDM4EALDH1A1NPC1USP2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-10202386-B2 Pyrrolo[3,2-D]pyrimidine derivatives as inducers of human interferon GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-02-12 US disclosed
US-10202386-B2 Pyrrolo[3,2-D]pyrimidine derivatives as inducers of human interferon GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-02-12 US disclosed
CN-109153642-A Indoles and azaindole halogenated allylamine derivatives inhibitors of lysyloxidase and application thereof 法玛西斯有限公司 2019-01-04 CN disclosed
EP-3414226-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2018-12-19 EP disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 WO disclosed
US-20170057963-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES AS INDUCERS OF HUMAN INTERFERON GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-02 US disclosed
US-20170057963-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES AS INDUCERS OF HUMAN INTERFERON GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-02 US disclosed
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
WO-2015124591-A1 PYRROLO[3,2] PYRIMIDINE DERIVATIVES AS INDUCERS OF HUMAN INTERFERON GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-27 WO disclosed
CN-102574861-B Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-08-05 CN disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
CN-102574861-A Methylpyrrolopyrimidinecarboxamides NYCOMED GMBH 2012-07-11 CN disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT KDM4E 359/4885ALDH1A1 322/4885NPC1 3010/4885
US-10202386-B2 Pyrrolo[3,2-D]pyrimidine derivatives as inducers of human interferon IFNG, IFNAR1, IRF3 KDM4E 2521/4885ALDH1A1 3659/4885NPC1 4057/4885
US-20170057963-A1 PYRROLO[3,2-D]PYRIMIDINE DERIVATIVES AS INDUCERS OF HUMAN INTERFERON IFNG, IFNAR1, IRF3 KDM4E 2521/4885ALDH1A1 3659/4885NPC1 4057/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KDM4E 359/4885ALDH1A1 322/4885NPC1 3010/4885
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A KDM4E 271/4885ALDH1A1 863/4885NPC1 4809/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A KDM4E 227/4885ALDH1A1 776/4885NPC1 4738/4885

“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.