SCHEMBL1100560

SCHEMBL1100560

O=[N+]([O-])c1ccc(N2CC3CC3C2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 4/20 0.63
LMNA P02545 1/20 0.63
ALOX12 P18054 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
CRBN Q96SW2 3/20 0.49
MAPK1 P28482 2/20 0.48
NPY2R P49146 1/20 0.46
DPP4 P27487 1/20 0.45
PREP P48147 1/20 0.45

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
SCHEMBL1100600 0.91 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL22466247 0.88 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL22466103 0.88 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL18053983 0.87 ALDH1A1 (0.63) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL20476087 0.85 MAPT (0.61) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29991845 0.85 MAPT (0.70) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29991732 0.85 MAPT (0.70) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL21464265 0.84 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL30615503 0.84 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL753207 0.84 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716273-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8716272-B2 N-(amino-heteroaryI)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI (FR) 2014-05-06 US disclosed
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-06-07 US disclosed
US-8153650-B2 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
EP-2125811-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY Sanofi-Aventis (FR) 2009-12-02 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
EP-2049525-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2009-04-22 EP disclosed
WO-2008093024-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI-AVENTIS (FR) 2008-08-07 WO disclosed
WO-2008015335-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-02-07 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 (5 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 MAPT 2841/4885ALDH1A1 870/4885LMNA 1759/4885
US-20120142670-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885ALDH1A1 780/4885LMNA 2507/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 MAPT 2841/4885ALDH1A1 870/4885LMNA 1759/4885
US-20120142669-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885ALDH1A1 780/4885LMNA 2507/4885
US-20100041634-A1 N-(amino-heteroaryl)-1H-pyrrolopyridine-2-carboxamides derivatives preparation thereof and their use in therapy ZYX, NQO2, PYCR1 MAPT 4029/4885ALDH1A1 780/4885LMNA 2507/4885

“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.