SCHEMBL13367308

SCHEMBL13367308

Cc1c(NC(=O)OC(C)(C)C)sc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.46
TP53 P04637 2/20 0.42
LCK P06239 3/20 0.40
NAMPT P43490 1/20 0.39
DTYMK P23919 1/20 0.39
ATR Q13535 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
LIMK1 P53667 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13339638 0.86 METAP1 (0.46) METAP1TP53LCKNAMPTDTYMK
SCHEMBL3493608 0.85 METAP1 (0.45) METAP1TP53LCKNAMPTDTYMK
SCHEMBL13367440 0.81 IKBKB (0.41) LCKIKBKBLIMK1NPC1RAB9A
SCHEMBL1098305 0.79 MEN1 (0.41) LCKNPC1RAB9AMEN1GAA
SCHEMBL13367341 0.74 LCK (0.45) LCKCA12CA1CA9
SCHEMBL1100453 0.73 METAP1 (0.47) METAP1LCKNAMPTATRKDM4E
SCHEMBL1107214 0.71 METAP1 (0.43) METAP1LCKNAMPTATRLIMK1
SCHEMBL68279 0.71 RAB9A (0.54) METAP1NPC1RAB9AKMT2AKDM4E
SCHEMBL3243855 0.71 METAP1 (0.56) METAP1LCKNAMPTATRRAB9A
SCHEMBL30668778 0.71 METAP1 (0.56) METAP1LCKNAMPTATRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B METAP1 2818/4885TP53 1508/4885LCK 3484/4885

“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.