SCHEMBL1270486

SCHEMBL1270486

O=C(Nc1ccccn1)c1nc(Br)c2c(sc3ccccc32)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.48
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
GRM5 P41594 6/20 0.46
MITF O75030 1/20 0.46
HIF1A Q16665 1/20 0.45
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL1270123 0.84 EGLN1 (0.55) EGLN1NPC1RAB9AHIF1AKMT2A
SCHEMBL1269585 0.83 EGLN1 (0.54) EGLN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1270197 0.81 NPC1 (0.49) EGLN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3623430 0.79 EGLN1 (0.52) EGLN1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL1270465 0.78 EGLN1 (0.78) EGLN1
SCHEMBL1270309 0.78 EGLN1 (0.61) EGLN1
SCHEMBL1269072 0.76 EGLN1 (0.54) EGLN1RAB9AKMT2AMEN1
SCHEMBL27790182 0.76 EGLN1 (0.54) EGLN1RAB9AKMT2AMEN1
SCHEMBL1269290 0.75 EGLN1 (0.53) EGLN1KMT2ANPSR1MEN1
SCHEMBL5022720 0.72 NPC1 (0.58) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US claimed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP claimed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO claimed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A EGLN1 5/4885NPC1 882/4885RAB9A 2270/4885

“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.