SCHEMBL3371374

SCHEMBL3371374

C=C(C)c1ccc2nc(C(=O)Nc3ccccc3)cn2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.62
RAB9A P51151 8/20 0.62
CYP2C9 P11712 1/20 0.58
NR4A2 P43354 1/20 0.58
MAPT P10636 3/20 0.49
EGLN1 Q9GZT9 2/20 0.47
POLB P06746 3/20 0.46
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ROCK1 Q13464 3/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL3371083 0.90 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2MAPT
Hydrochloric Acid SCHEMBL3368257 0.89 NPC1 (0.64) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3367667 0.88 NPC1 (0.47) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3367853 0.85 CYP2C9 (0.67) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3367363 0.85 NPC1 (0.65) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3368408 0.84 RAB9A (0.55) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3365483 0.83 NPC1 (0.67) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL3368461 0.83 NPC1 (0.70) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL2485532 0.82 RAB9A (0.68) NPC1RAB9ACYP2C9NR4A2MAPT
SCHEMBL2086678 0.82 PTGS1 (0.43) NPC1RAB9ACYP2C9NR4A2MAPT

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
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP claimed
US-7704989-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-27 US claimed
US-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-11 US claimed
US-8404848-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-03-26 US disclosed
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
US-7704989-B2 Derivatives of imidazo[1,2-a]pyridine-2-carboxamides, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-27 US disclosed
US-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-06-11 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-20090149441-A1 DERIVATIVES OF IMIDAZO[1,2-a]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS NR4A2, NR4A3, NCOR1 NPC1 1018/4885RAB9A 3591/4885CYP2C9 2834/4885

“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.