SCHEMBL351602

SCHEMBL351602

Cc1[c]sc(-c2cnccn2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP1A2 P05177 2/20 0.40
HRH3 Q9Y5N1 5/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
PIM1 P11309 1/20 0.33
DUSP4 Q13115 1/20 0.33
PTP4A1 Q93096 1/20 0.33
HSD17B10 Q99714 3/20 0.33
DCTPP1 Q9H773 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL5912824 0.69 PDE10A (0.59) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL8264429 0.69 HTT (0.66) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL3058592 0.69 TSHR (0.39) CYP1A2HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL5189075 0.68 HTT (0.40) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL16640385 0.68 HTT (0.56) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL18049512 0.68 HTT (0.47) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL13801156 0.67 HTT (0.59) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL19336777 0.67 KDM4E (0.53) HTTRECQLCDC7DBF4CYP1A2
SCHEMBL1458916 0.67 HTT (0.62) HTTRECQLCDC7DBF4HRH3
SCHEMBL17790299 0.67 HTT (0.54) HTTRECQLCDC7DBF4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009055631-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-30 WO claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009055631-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-30 WO disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (1 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA HTT 1843/4885RECQL 2756/4885CDC7 2405/4885

“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.