SCHEMBL439618

SCHEMBL439618

Cc1[nH]c2cc[nH]c(=O)c2c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TYMP P19971 1/20 0.41
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALKBH3 Q96Q83 1/20 0.39
DAO P14920 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL441514 0.84 SLC2A1 (0.43) KDM4EDAOKMT2A
SCHEMBL439165 0.75 NPSR1 (0.38) ALDH1A1KDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL1346299 0.74 IDH1 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL439327 0.72 SMN1; SMN2 (0.38) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL14067135 0.72 POLB (0.52) ALDH1A1KDM4ECYP3A4HSD17B10SMN1; SMN2
SCHEMBL20828256 0.71 TYMP (0.65) ALDH1A1KDM4ETYMPHSD17B10SMN1; SMN2
SCHEMBL15324749 0.71 POLB (0.61) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL438267 0.71 CCNB2 (0.39) KDM4ETYMPSMN1; SMN2ALKBH3KMT2A
SCHEMBL15285375 0.69 CYP1A2 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6920607 0.69 MAPT (0.61) ALDH1A1KDM4ECYP3A4HSD17B10SMN1; 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 ALDH1A1 2372/4885KDM4E 1871/4885CYP1A2 247/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD ALDH1A1 2172/4885KDM4E 1016/4885CYP1A2 352/4885

“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.