SCHEMBL2642830

SCHEMBL2642830

O=C(Nc1nccs1)c1cn(CC2CCCC2)c2cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.51
CNR1 P21554 3/20 0.51
GCK P35557 3/20 0.50
CNR2 P34972 1/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
OPRK1 P41145 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL2642407 0.99 CNR1 (0.52) KCNMA1CNR1GCKCNR2KMT2A
SCHEMBL2642914 0.98 KCNMA1 (0.51) KCNMA1CNR1GCKCNR2KMT2A
SCHEMBL1606760 0.96 KCNMA1 (0.53) KCNMA1CNR1GCKCNR2KMT2A
Indole SCHEMBL2655728 0.86 KCNMA1 (0.43) KCNMA1CNR1GCKCNR2KMT2A
SCHEMBL1606397 0.85 CNR1 (0.60) CNR1GCKCNR2KMT2AMEN1
SCHEMBL1607715 0.85 CNR1 (0.48) KCNMA1CNR1CNR2KMT2AMEN1
SCHEMBL1606359 0.85 CNR1 (0.46) CNR1GCKKMT2AMEN1ALDH1A1
SCHEMBL1606584 0.85 CNR1 (0.51) KCNMA1CNR1GCKCNR2KMT2A
SCHEMBL2642971 0.84 KCNMA1 (0.57) KCNMA1GCKKMT2AMEN1ALDH1A1
SCHEMBL1606634 0.84 ALDH1A1 (0.42) KCNMA1CNR1GCKCNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US claimed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US claimed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-8148413-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2012-04-03 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2011-04-07 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
US-7812043-B2 N-heteroaryl indole carboxamides and analogues thereof, for use as glucokinase activators in the treatment of diabetes TRANSTECH PHARMA, INC. (US) 2010-10-12 US disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes NOVO NORDISK A/S (DK) 2007-02-01 US disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US 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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK KCNMA1 737/4885CNR1 411/4885GCK 3/4885
US-20070027140-A1 N-heteroaryl indole carboxamides and analogues thereof, for use as glcokinase activators in the treatment of diabetes GALK1, GCKR, GCK KCNMA1 1030/4885CNR1 616/4885GCK 3/4885
US-20110082144-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES GCKR, GCK, GALK1 KCNMA1 1253/4885CNR1 568/4885GCK 2/4885

“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.