SCHEMBL4905992

SCHEMBL4905992

Cc1ccc(C(=O)Nc2ccc3c(C(=O)Nc4ccccn4)cn(C(C)(C)C)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
RET P07949 1/20 0.45
F2 P00734 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
F10 P00742 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL4397267 0.87 HPGD (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4391709 0.85 RAB9A (0.41) NPC1RAB9ARETKMT2ATP53
SCHEMBL5455582 0.85 POLB (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4402104 0.84 RAB9A (0.45) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4391744 0.83 RAB9A (0.42) NPC1RAB9AKMT2ATP53SMN1; SMN2
SCHEMBL3833164 0.83 RAB9A (0.42) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4393053 0.83 ADORA2A (0.42) NPC1RAB9AKMT2APOLBMAPT
SCHEMBL5469584 0.83 SMN1; SMN2 (0.41) NPC1RAB9ARETMEN1KMT2A
SCHEMBL4391476 0.83 KMT2A (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL3833978 0.82 RAB9A (0.43) NPC1RAB9ATP53SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US 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-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP NPC1 3748/4885RAB9A 2588/4885RET 1981/4885

“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.