SCHEMBL1748962

SCHEMBL1748962

O=Cc1ccnc2[nH]c(-c3c[nH]c4ccccc34)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
CYP2A6 P11509 1/20 0.47
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR5A P47898 2/20 0.43
KMT2A Q03164 1/20 0.43
CLK1 P49759 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAP3K14 Q99558 1/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
PIM1 P11309 2/20 0.41
TDO2 P48775 4/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BACE1 P56817 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38

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
SCHEMBL29957029 0.77 ADORA2A (0.56) GSK3BCDK5CDK5R1
SCHEMBL1778743 0.76 GSK3B (0.61) IMPDH2HTR2CHTR2BHTR5AGSK3B
SCHEMBL1748617 0.75 RIPK1 (0.57) IMPDH2CLK1GSK3BCDK5DYRK1A
3-Formylindole SCHEMBL7494141 0.70 CYP2A6 (0.68) IMPDH2CYP2A6KMT2ADYRK1APIM1
SCHEMBL8730331 0.69 IMPDH2 (0.65) IMPDH2CYP2A6CDK5PIM1TDO2
SCHEMBL4776382 0.68 SMN1; SMN2 (0.56) IMPDH2KMT2AADRA1AADRA1BTDO2
SCHEMBL15652442 0.68 CCR1 (0.47) KMT2A
SCHEMBL15652185 0.67 IKBKB (0.45) KMT2A
SCHEMBL4725465 0.67 PDGFRB (0.55) IMPDH2KMT2AADRA1AADRA1BTDO2
SCHEMBL229717 0.67 PDGFRB (0.46) IMPDH2CYP2A6GSK3B

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
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
CN-1950083-A Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA SA (FR) 2007-04-18 CN disclosed
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 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 (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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 IMPDH2 1652/4885CYP2A6 2942/4885HTR2C 2144/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 IMPDH2 1652/4885CYP2A6 2942/4885HTR2C 2144/4885

“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.