SCHEMBL1270197

SCHEMBL1270197

O=C(Nc1cccnc1)c1nc(Br)c2c(sc3ccccc32)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
EGLN1 Q9GZT9 3/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NAMPT P43490 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
F10 P00742 1/20 0.42
MAPK1 P28482 1/20 0.42

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 0.89 EGLN1 (0.55) NPC1RAB9AEGLN1SMN1; SMN2MEN1
SCHEMBL1269290 0.84 EGLN1 (0.53) EGLN1NAMPTMEN1KMT2AALDH1A1
SCHEMBL1270486 0.81 EGLN1 (0.48) NPC1RAB9AEGLN1SMN1; SMN2MEN1
SCHEMBL3623430 0.77 EGLN1 (0.52) RAB9AEGLN1SMN1; SMN2ERCC1FEN1
SCHEMBL1269072 0.77 EGLN1 (0.54) RAB9AEGLN1MEN1KMT2AALDH1A1
SCHEMBL27790182 0.77 EGLN1 (0.54) RAB9AEGLN1MEN1KMT2AALDH1A1
SCHEMBL1270465 0.76 EGLN1 (0.78) EGLN1
SCHEMBL1270309 0.76 EGLN1 (0.61) EGLN1ALDH1A1HPGDPOLB
SCHEMBL1269585 0.75 EGLN1 (0.54) NPC1RAB9AEGLN1SMN1; SMN2MEN1
SCHEMBL5022605 0.73 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 882/4885RAB9A 2270/4885EGLN1 5/4885

“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.