SCHEMBL435782

SCHEMBL435782

Cc1[nH]c2ccnc(Cl)c2c1Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
PTGS1 P23219 1/20 0.33
BRD4 O60885 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL438267 0.82 CCNB2 (0.39) SLC2A1PTGS2SMN1; SMN2KMT2APTGS1
SCHEMBL438559 0.71 BRD4 (0.36) SLC2A1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL437141 0.69 SMN1; SMN2 (0.51) SMN1; SMN2BRD4KDM4E
SCHEMBL856298 0.68 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AHTTL3MBTL1
SCHEMBL14630116 0.68 BRD4 (0.40) ALDH1A1SMN1; SMN2KMT2ABRD4KDM4E
SCHEMBL435783 0.66 MAPT (0.38) ALDH1A1HTTSMN1; SMN2KMT2ATP53
SCHEMBL439409 0.65 LRRK2 (0.55) SLC2A1ALDH1A1PTGS2HPGDHSD17B10
Hydrochloric Acid SCHEMBL439183 0.65 HTR6 (0.41) SLC2A1ALDH1A1NPC1HTTL3MBTL1
SCHEMBL1442410 0.62 NPC1 (0.71) ALDH1A1NPC1RAB9AHTTL3MBTL1
SCHEMBL27616376 0.62 HTT (0.54) HTTL3MBTL1KMT2ABACE1TAAR1

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-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-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 SLC2A1 3328/4885ALDH1A1 2372/4885NPC1 2850/4885
US-20120065224-A1 PYRROLO[3,2-C) PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, HPD SLC2A1 3940/4885ALDH1A1 2172/4885NPC1 2935/4885

“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.