SCHEMBL3104207

SCHEMBL3104207

Clc1ccc2nc(N3CCNCC3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.61
HTR6 P50406 5/20 0.52
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
GPR119 Q8TDV5 1/20 0.51
PIK3CG P48736 1/20 0.47
KDM4E B2RXH2 1/20 0.46
S1PR2 O95136 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
PSMB8 P28062 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
SCHEMBL3088134 0.95 SOS1 (0.56) SOS1HTR6HTR3EHTR3BHTR3A
SCHEMBL3101725 0.88 HTR3E (0.55) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL21154013 0.84 NPC1 (0.50) SOS1GPR119PIK3CGKDM4EKMT2A
SCHEMBL3082150 0.83 PTGES (0.53) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL31349365 0.82 HTR6 (0.52) HTR6GPR119KDM4EKMT2A
SCHEMBL8513477 0.82 HTR6 (0.52) SOS1HTR6GPR119
SCHEMBL5089961 0.80 SOS1 (0.45) SOS1HTR6GPR119PIK3CGPTGES
SCHEMBL24462170 0.80 PTGES (0.49) SOS1HTR3APIK3CGHRH4PTGES
SCHEMBL30169682 0.80 HTR6 (0.50) SOS1HTR6GPR119LMNAHRH4
SCHEMBL24883385 0.80 HTR6 (0.50) SOS1HTR6GPR119LMNAHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-9156834-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2015-10-13 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PF MEDICAMENT (FR) 2014-12-04 US disclosed
US-8846930-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2014-09-30 US disclosed
US-8846930-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2014-09-30 US disclosed
US-8846930-B2 Derivatives of heteroarylsulfonamides, their preparation and their application in human therapy PIERRE FABRE MEDICAMENT (FR) 2014-09-30 US disclosed
EP-2643318-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY Pierre Fabre Médicament (FR) 2013-10-02 EP disclosed
US-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
WO-2012069503-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed
WO-2012069503-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 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-20130172326-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY KCNA4, KCNA1, KCNB1 SOS1 905/4885HTR6 929/4885HTR3E 619/4885
US-20140357624-A1 DERIVATIVES OF HETEROARYLSULFONAMIDES, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPY KCNA4, KCNA1, KCNB1 SOS1 905/4885HTR6 929/4885HTR3E 619/4885
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 SOS1 1531/4885HTR6 4167/4885HTR3E 3080/4885

“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.