SCHEMBL3576383

SCHEMBL3576383

Cc1[nH]c2c(OCc3ccc(C(F)(F)F)cc3)ccnc2c1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
MAOB P27338 6/20 0.39
IDO1 P14902 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A4 P31645 1/20 0.37
PTPRC P08575 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRB P23467 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
PDE2A O00408 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
DAO P14920 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
SCHEMBL3591662 0.86 KMT2A (0.48) MPOSLC6A4
SCHEMBL3588534 0.83 MEN1 (0.44) MAOB
SCHEMBL3592904 0.83 HTR6 (0.42) MPOMAOBSLC6A4
SCHEMBL3579422 0.81 IDO1 (0.39) MAOBIDO1
SCHEMBL3591925 0.80 ACHE (0.36) IDO1
SCHEMBL3582069 0.76 HTR6 (0.46) SLC6A4
SCHEMBL3597264 0.76 HTR6 (0.44) MAOBIDO1
SCHEMBL3593008 0.74 L3MBTL1 (0.46) DAO
SCHEMBL15104184 0.73 MAOB (0.43) MPOMAOBIDO1PPARGPPARD
SCHEMBL3589577 0.73 SYK (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
EP-1784403-A1 PYRROLO[3,2-B]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-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 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 (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-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX MPO 1638/4885MAOB 479/4885IDO1 968/4885

“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.