SCHEMBL3247496

SCHEMBL3247496

CNc1nc(N2CCN(c3ccccn3)CC2)nc(Nc2cccc3c2CCCC3)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.48
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KHK P50053 1/20 0.39
NPC1 O15118 1/20 0.39
HK1 P19367 1/20 0.39
RAB9A P51151 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3243362 0.79 KDM4E (0.47) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL3238433 0.78 DHFR (0.42) PTK2MAPTMEN1KMT2AKDM4E
SCHEMBL8100446 0.77 PTK2 (0.46) PTK2MAPTMEN1KMT2AKDM4E
SCHEMBL3246409 0.77 KDM4E (0.43) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL3247675 0.74 NPC1 (0.57) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6783933 0.74 MEN1 (0.46) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL6791708 0.74 KDM4E (0.42) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL3244053 0.74 KDM4E (0.46) MAPTKDM4ETSHRHPGDSMN1; SMN2
SCHEMBL6798100 0.74 MEN1 (0.50) MAPTMEN1KMT2AKDM4ETSHR
SCHEMBL3243368 0.73 MAPT (0.54) MAPTMEN1KMT2AKDM4ESMN1; SMN2

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 10 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-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 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 (6 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 PTK2 2363/4885MAPT 3040/4885MEN1 4213/4885
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 PTK2 2363/4885MAPT 3040/4885MEN1 4213/4885
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 PTK2 3944/4885MAPT 1723/4885MEN1 3067/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 PTK2 3022/4885MAPT 3133/4885MEN1 4030/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 PTK2 2909/4885MAPT 3177/4885MEN1 4128/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 PTK2 2702/4885MAPT 2990/4885MEN1 3898/4885

“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.