SCHEMBL3491112

SCHEMBL3491112

CSc1ccc(Nc2cc(-c3nnc(C)o3)ccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ MAPK10 P53779 6/20 0.46
▸ ROCK1 Q13464 1/20 0.45
▸ NPC1 O15118 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PCSK9 Q8NBP7 1/20 0.40
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAPK14 Q16539 3/20 0.37
▸ LCK P06239 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL3493904 0.82 GSK3B (0.42) GSK3BMAPK10ROCK1NPC1GBA1
SCHEMBL3491649 0.81 GSK3B (0.48) GSK3BMAPK10MAPK14
SCHEMBL3491927 0.81 MAPK10 (0.42) GSK3BMAPK10MAPTRAB9AMAPK14
SCHEMBL3493533 0.77 GSK3B (0.38) GSK3BMAPK10ROCK1NPC1GBA1
SCHEMBL3492974 0.76 MAPK10 (0.46) GSK3BMAPK10NPC1RAB9AAURKA
SCHEMBL16944443 0.76 HPGD (0.56) GSK3BMAPK10MAPTMAPK14MAPK13
SCHEMBL3493182 0.75 KMT2A (0.52) ROCK1NPC1TP53MAPTRAB9A
SCHEMBL3493004 0.74 THRB (0.53) NPC1RAB9AKCNH2AURKA
SCHEMBL3491183 0.72 GSK3B (0.52) GSK3BNPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL3493232 0.72 MAPK10 (0.47) MAPK10NPC1RAB9ATBK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GSK3B 1/4885MAPK10 671/4885ROCK1 351/4885

“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.

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