SCHEMBL2898709

SCHEMBL2898709

Cc1nc(N2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
ALDH1A1 P00352 7/20 0.69
POLB P06746 3/20 0.69
MAPK1 P28482 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
HPGD P15428 2/20 0.51
LMNA P02545 4/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 3/20 0.45
CTSB P07858 1/20 0.45
AR P10275 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44

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
SCHEMBL2068371 0.97 MAPT (0.65) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL2256829 0.86 MAPT (0.57) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL27720427 0.83 ALDH1A1 (0.49) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL14938517 0.82 MAPT (0.49) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL2416386 0.82 ALDH1A1 (1.00) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL29218575 0.82 MAPT (0.48) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL2416849 0.81 MAPT (0.69) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL3598727 0.81 MAPT (0.69) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL25187824 0.81 MAPT (0.47) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL31704100 0.81 MAPT (0.47) MAPTALDH1A1POLBMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
CN-101511819-B Derivatives of N- (amino-heteroaryl) -1H-indole-2-amides, preparation thereof and use thereof in therapy SANOFI AVENTIS 2014-04-23 CN disclosed
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO 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
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 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-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 (3 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 870/4885POLB 4639/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 MAPT 2357/4885ALDH1A1 708/4885POLB 296/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 MAPT 2841/4885ALDH1A1 870/4885POLB 4639/4885

“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.