SCHEMBL3247948

SCHEMBL3247948

Cc1ccc(Nc2nc(Nc3cccc(C)c3)cc(N(C)C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
SLC2A1 P11166 3/20 0.54
NFKB1 P19838 1/20 0.51
KCNH3 Q9ULD8 1/20 0.48
JAK2 O60674 1/20 0.46
EGFR P00533 1/20 0.46
JAK3 P52333 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 2/20 0.45
APP P05067 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2411151 0.90 TAAR1 (0.58) TAAR1SLC2A1KCNH3JAK2MAPT
SCHEMBL4415371 0.83 APP (0.50) TAAR1SLC2A1CA12CA1CA2
SCHEMBL6791894 0.82 TAAR1 (0.73) TAAR1SLC2A1NFKB1KCNH3MAPT
SCHEMBL4544781 0.82 NFKB1 (0.67) SLC2A1NFKB1KCNH3CA12CA1
SCHEMBL4544841 0.82 NFKB1 (0.67) SLC2A1NFKB1KCNH3CA12CA1
SCHEMBL4544862 0.79 KCNH3 (0.70) SLC2A1NFKB1KCNH3CA12CA1
SCHEMBL6790294 0.78 TAAR1 (0.59) TAAR1SLC2A1KCNH3JAK2JAK3
SCHEMBL14184487 0.78 NFKB1 (0.61) SLC2A1NFKB1KCNH3CA12CA1
SCHEMBL8084560 0.78 TAAR1 (0.59) TAAR1SLC2A1NFKB1MAPTTP53
SCHEMBL6784490 0.78 TAAR1 (0.59) TAAR1SLC2A1NFKB1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 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 (5 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-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 TAAR1 242/4885SLC2A1 1938/4885NFKB1 4308/4885
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 TAAR1 242/4885SLC2A1 1938/4885NFKB1 4308/4885
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 TAAR1 75/4885SLC2A1 1449/4885NFKB1 4097/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 TAAR1 464/4885SLC2A1 1808/4885NFKB1 4202/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 TAAR1 275/4885SLC2A1 1903/4885NFKB1 4208/4885

“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.