SCHEMBL3769963

SCHEMBL3769963

c1nc(N2CCCC2)c2ccc(N3CCNCC3)cc2n1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 10/20 0.71
HTT P42858 1/20 0.56
HTR2C P28335 3/20 0.51
IP6K1 Q92551 1/20 0.49
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CLK4 Q9HAZ1 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAP4K4 O95819 1/20 0.48
LMNA P02545 1/20 0.47

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
Hydrochloric Acid SCHEMBL2568421 0.99 PRKDC (0.70) PRKDCHTTHTR2CIP6K1CYP1A2
SCHEMBL3361468 0.83 PRKDC (0.71) PRKDCHTTIP6K1
SCHEMBL12324936 0.83 PRKDC (1.00) PRKDC
SCHEMBL12324939 0.82 PRKDC (1.00) PRKDC
SCHEMBL12324452 0.82 PRKDC (1.00) PRKDC
SCHEMBL1113934 0.80 PRKDC (0.46) PRKDCHTTHTR2CIP6K1KDM4E
SCHEMBL2918593 0.80 CYP1A2 (0.67) HTTHTR2CCYP1A2CYP3A4CLK4
SCHEMBL2921599 0.80 HTT (0.58) PRKDCHTTHTR2CCYP1A2CYP3A4
SCHEMBL2570926 0.79 PRKDC (0.65) PRKDCIP6K1MAP4K4
Bromide SCHEMBL1114184 0.79 PRKDC (0.45) PRKDCHTTHTR2CIP6K1KDM4E

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
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 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 (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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PRKDC 3229/4885HTT 693/4885HTR2C 954/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 PRKDC 3229/4885HTT 693/4885HTR2C 954/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 PRKDC 3229/4885HTT 693/4885HTR2C 954/4885

“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.