SCHEMBL1915232

SCHEMBL1915232

Cc1cnc2c(c1)CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
PTGS2 P35354 2/20 0.36
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
PDK2 Q15119 1/20 0.32
SRD5A1 P18405 1/20 0.32
AVPR1A P37288 1/20 0.32
RAB9A P51151 1/20 0.31
SMO Q99835 1/20 0.31
CYP1A2 P05177 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL883070 0.89 KMT2A (0.39) KMT2AHTR1ADRD2HTR2ARAB9A
SCHEMBL12306493 0.85 CCR1 (0.39) KMT2ACCR1CCR5CCR8NOS3
SCHEMBL15070844 0.77 CYP11B1 (0.31)
SCHEMBL30849369 0.76 FNTA (0.33) KMT2AFNTAFNTB
SCHEMBL12696414 0.76 CASP1 (0.46) NOS3NOS1NOS2FNTAFNTB
SCHEMBL29207149 0.76 FNTA (0.33) KMT2AFNTAFNTB
SCHEMBL30849370 0.76 FNTA (0.33) KMT2AFNTAFNTB
SCHEMBL16043515 0.76 DYRK1A (0.35) KMT2APTGS2FNTAFNTBSRD5A1
SCHEMBL568921 0.76 PTGS1 (0.39) KMT2APTGS2FNTAFNTBPDK2
SCHEMBL15074614 0.74 PARP10 (0.51) KMT2APARP10PARP11

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-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
US-8742106-B2 Disubstituted heteroaryl-fused pyridines NOVARTIS AG (CH) 2014-06-03 US disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-B1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2014-01-29 EP disclosed
EP-2516437-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES Novartis AG (CH) 2012-10-31 EP disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
US-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2012-10-11 US disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011076744-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES NOVARTIS AG (CH) 2011-06-30 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-20120258973-A1 DISUBSTITUTED HETEROARYL-FUSED PYRIDINES CYP4F2, CYP11B2, CYP4F3 KMT2A 2606/4885PTGS2 261/4885CCR1 4630/4885

“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.