SCHEMBL3490625

SCHEMBL3490625

Cc1ccc(Nc2nnc(-c3ccc4ncccc4c3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
ACHE P22303 2/20 0.57
GSK3B P49841 3/20 0.54
BCL2 P10415 2/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
QPCT Q16769 3/20 0.47

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
SCHEMBL3490613 0.89 GSK3B (0.58) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL3493581 0.85 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3490958 0.79 NPC1 (0.55) NPC1RAB9ATP53ACHEGSK3B
SCHEMBL25389520 0.79 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL29011091 0.75 RAB9A (0.88) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL27855638 0.75 RAB9A (1.00) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL23555377 0.74 NPC1 (0.78) SMN1; SMN2NPC1RAB9ATP53GSK3B
SCHEMBL8337885 0.74 NPC1 (0.78) SMN1; SMN2NPC1RAB9ATP53GSK3B
SCHEMBL3491401 0.73 NPC1 (0.46) SMN1; SMN2NPC1RAB9AMAPK1GSK3B
SCHEMBL31451575 0.73 NPC1 (0.75) SMN1; SMN2NPC1RAB9AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US claimed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP SMN1; SMN2 1036/4885NPC1 1571/4885RAB9A 3231/4885

“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.