SCHEMBL2801540

SCHEMBL2801540

Cc1cc(-c2cnc3cccc(Br)c3n2)cnc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
PARP2 Q9UGN5 1/20 0.37
TP53 P04637 1/20 0.36
STAT1 P42224 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
JAK3 P52333 4/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
CDK9 P50750 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35

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
SCHEMBL2801176 0.81 PARP1 (0.46) PARP1NPC1SMN1; SMN2PARP2KDM4E
SCHEMBL2801290 0.76 JAK2 (0.45) PARP1NPC1RAB9ASMN1; SMN2PARP2
SCHEMBL31353303 0.74 RAB9A (0.47) PARP1NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL2800767 0.73 JAK2 (0.57) JAK3JAK2JAK1TYK2
SCHEMBL15228659 0.72 PIM1 (0.46) PARP1NPC1RAB9ASMN1; SMN2PDGFRB
SCHEMBL2802153 0.72 MAP4K4 (0.43) PARP1NPC1TP53KDM4ELMNA
SCHEMBL2799963 0.71 JAK2 (0.64) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL2802179 0.71 JAK2 (0.44) PARP1NPC1RAB9ASMN1; SMN2PARP2
SCHEMBL2798401 0.71 JAK2 (0.69) TP53KDM4ELMNAJAK3JAK2
SCHEMBL31393652 0.70 KDM4E (0.46) NPC1KDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678020-B Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2012-08-15 CN disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
CN-101678020-A Quinoxaline derivatives as inhibitors of the tyrosine kinase activity of Janus kinases NOVARTIS AG 2010-03-24 CN disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 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 (1 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 PARP1 2189/4885NPC1 4739/4885RAB9A 434/4885

“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.