SCHEMBL3923385

SCHEMBL3923385

CN1CCN(C(=O)c2n[nH]c(=O)c3c2c2ccc(Cl)cc2n3C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
HRH4 Q9H3N8 6/20 0.43
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PAK4 O96013 1/20 0.40
PARP1 P09874 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5788409 0.83 TSPO (0.44)
SCHEMBL4833737 0.83 TSPO (0.44) ALPLMAPK1PARP1ALDH1A1MAPT
SCHEMBL3926531 0.81 TSPO (0.46) ALPL
SCHEMBL3922935 0.80 TSHR (0.43) LMNATSHRTP53POLBHTT
SCHEMBL3930905 0.78 POLB (0.48) ALPLLMNATSHRALOX15TP53
SCHEMBL6703839 0.77 SMN1; SMN2 (0.54) TSHRALOX15TP53POLBALDH1A1
SCHEMBL5786359 0.74 SMN1; SMN2 (0.50) TSHRALOX15TP53POLBHTT
SCHEMBL4877270 0.73 HRH4 (0.34) ALPLHRH4PARP1ALDH1A1
Hydrochloric Acid SCHEMBL3919147 0.73 SMN1; SMN2 (0.49) TSHRALOX15TP53POLBHTT
SCHEMBL4843555 0.72 TSPO (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275576-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-7569567-B2 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2009-08-04 US disclosed
US-20080249098-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide Derivatives, Their Preparation and Therapeutic Use SANOFI-AVENTIS (FR) 2008-10-09 US disclosed
US-7402682-B2 3-heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2008-07-22 US disclosed
EP-1458721-B1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO [4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI AVENTIS (FR) 2006-11-22 EP disclosed
US-20060241116-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-AVENTIS (FR) 2006-10-26 US disclosed
US-7109194-B2 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use SANOFI-AVENTIS (FR) 2006-09-19 US disclosed
US-20050096321-A1 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use SANOFI (FR) 2005-05-05 US disclosed
EP-1458721-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO 4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE Sanofi-Aventis (FR) 2004-09-22 EP disclosed
WO-2003055884-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-07-10 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 (4 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-20060241116-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE HTR3C, TPH1, IDO1 ALPL 3278/4885LMNA 1673/4885TSHR 1080/4885
US-20050096321-A1 3-heteroaryl-3, 5-dihydro-4-oxo-4H-pyridazino[4, 5-b]indole-1-carboxamide derivatives their preparations and therapeutic use HTR3C, CYP3A43, IDO1 ALPL 2986/4885LMNA 1766/4885TSHR 1311/4885
US-20090275576-A1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO[4,5-B]INDOLE-1-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE HTR3C, TPH1, IDO1 ALPL 3278/4885LMNA 1673/4885TSHR 1080/4885
US-20080249098-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-B]indole-1-carboxamide Derivatives, Their Preparation and Therapeutic Use HTR3C, TPH1, IDO1 ALPL 3278/4885LMNA 1673/4885TSHR 1080/4885

“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.