SCHEMBL438267

SCHEMBL438267

Cc1[nH]c2ccnc(Cl)c2c1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
TYMP P19971 1/20 0.38
ALKBH3 Q96Q83 2/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL437834 0.86 SLC2A1 (0.45) TAAR1SLC2A1PTGS1PTGS2
SCHEMBL435782 0.82 SLC2A1 (0.38) KDM4ETAAR1SMN1; SMN2SLC2A1KMT2A
SCHEMBL439409 0.79 LRRK2 (0.55) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL439183 0.79 HTR6 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL440242 0.78 LRRK2 (0.54) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL438559 0.77 BRD4 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL437304 0.75 PTGS1 (0.39) ALKBH3SMN1; SMN2SLC2A1PTGS1PTGS2
SCHEMBL9370750 0.75 OPRM1 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL439027 0.74 UTS2R (0.54) KDM4EUTS2RALKBH3GAAMEN1
SCHEMBL437141 0.74 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513277-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2013-08-20 US disclosed
US-8148529-B2 Pyrrolo[3,2-C] pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2012-04-03 US disclosed
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-03-15 US disclosed
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP disclosed
US-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof YUHAN CORPORATION (KR) 2009-01-01 US disclosed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2007001139-A1 A COMPOSITION FOR TREATING OR PREVENTING A CANCER COMPRISING PYRROLOPYRIDINE DERIVATIVES YUHAN CORPORATION (KR) 2007-01-04 WO disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 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-20090005409-A1 Pyrrolo[3,2-C] Pyrdine Derivatives and Processes for the Preparation Thereof ATP6AP1, PPOX, PGA5 CCNB2 3383/4885CDK1 2479/4885CCNB1 3883/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD CCNB2 3764/4885CDK1 2090/4885CCNB1 3871/4885

“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.