SCHEMBL4563146

SCHEMBL4563146

CCCCCc1cnc(N)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RARB P10826 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTR2A P28223 1/20 0.45
NPC1 O15118 2/20 0.44
STAT3 P40763 1/20 0.44
ATM Q13315 1/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL5750627 0.98 RAB9A (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5749047 0.98 RAB9A (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5748785 0.98 RAB9A (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6615395 0.84 NPC1 (0.41) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL6417146 0.80 RARB (0.47) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12186163 0.78 RARB (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7910575 0.78 PTGS2 (0.52) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1577302 0.78 RARB (0.46) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12186156 0.78 RARB (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2249764 0.78 RARB (0.46) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1

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-20090074886-A1 GSK-3 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. 2009-03-19 US disclosed
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
CN-1835755-A GSK-3 inhibitors and uses thereof CHIRON CORP (US) 2006-09-20 CN disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
US-20050054663-A1 Bone disorders; osteoporosis CHIRON CORPORATION 2005-03-10 US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (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-20050054663-A1 Bone disorders; osteoporosis GSK3B, GSK3A, GSKIP RAB9A 2438/4885MAPT 1221/4885KDM4E 1414/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4060/4885MAPT 134/4885KDM4E 2320/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885MAPT 146/4885KDM4E 2567/4885
US-20090074886-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP RAB9A 3201/4885MAPT 594/4885KDM4E 1258/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885MAPT 146/4885KDM4E 2567/4885

“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.