SCHEMBL12985252

SCHEMBL12985252

NC(=O)Cc1ccc2nccnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.58
CA2 P00918 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
STAT1 P42224 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ANO1 Q5XXA6 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL29874931 0.83 ECE2 (0.59) ECE2CA2NPC1RAB9AHPGD
SCHEMBL2496318 0.83 ECE2 (0.59) ECE2CA2NPC1RAB9AHPGD
Potassium Ion SCHEMBL22587793 0.81 ECE2 (0.58) ECE2NPC1RAB9AHPGDANO1
SCHEMBL29306046 0.81 ECE2 (0.58) ECE2NPC1RAB9AHPGDNFKB1
SCHEMBL16053866 0.81 ECE2 (0.50) ECE2NPC1RAB9AHPGDSTAT1
SCHEMBL2495821 0.81 ECE2 (0.54) ECE2NPC1RAB9AHPGDANO1
SCHEMBL5340760 0.80 HDAC3 (0.60) NPC1RAB9AANO1KDM4EALDH1A1
SCHEMBL5340727 0.80 RAB9A (0.59) CA2NPC1RAB9AHPGDNFKB1
SCHEMBL12985473 0.80 MAOB (0.47) ECE2CA2NPC1RAB9AHPGD
SCHEMBL31269838 0.80 HDAC3 (0.60) NPC1RAB9AANO1KDM4EALDH1A1

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
CN-105102459-A Antiviral indolo[2,3-b]quinoxaline VIRONOVA AB 2015-11-25 CN claimed
CN-1976934-B Alkyl substituted indoloquinoxalines OXYPHARMA AB 2013-05-29 CN claimed
CN-1976934-A Alkyl substituted indoloquinoxalines OXYPHARMA AB (SE) 2007-06-06 CN claimed
EP-2970292-A1 ANTIVIRAL INDOLO[2,3-B]QUINOXALINE Vironova Herpes AB (SE) 2016-01-20 EP disclosed
CN-105102459-A Antiviral indolo[2,3-b]quinoxaline VIRONOVA AB 2015-11-25 CN disclosed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US disclosed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US disclosed
WO-2014140321-A1 ANTIVIRAL INDOLO[2,3-B]QUINOXALINE VIRONOVA AB (SE) 2014-09-18 WO disclosed
CN-1976934-B Alkyl substituted indoloquinoxalines OXYPHARMA AB 2013-05-29 CN disclosed
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2012-10-11 US disclosed
CN-1976934-A Alkyl substituted indoloquinoxalines OXYPHARMA AB (SE) 2007-06-06 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK ECE2 2157/4885CA2 3769/4885NPC1 3907/4885
US-20120258950-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK ECE2 2157/4885CA2 3769/4885NPC1 3907/4885

“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.