SCHEMBL1708061

SCHEMBL1708061

COC(=O)c1cccc(-n2cnc3cccc(C)c32)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
FGFR1 P11362 3/20 0.43
SRC P12931 1/20 0.43
TP53 P04637 2/20 0.42
MYC P01106 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL1708099 0.75 ALDH1A1 (0.46) ALDH1A1POLBRAB9ATP53MYC
SCHEMBL18367776 0.73 ALDH1A1 (0.51) ALDH1A1POLBRAB9AMYCTSHR
SCHEMBL21124717 0.72 KDM4E (0.43) ALDH1A1POLBRAB9AFGFR1SRC
SCHEMBL524457 0.71 LMNA (0.53) ALDH1A1POLBRAB9AMYCTSHR
SCHEMBL12894985 0.69 NR4A2 (0.46) ALDH1A1FGFR1SRCTSHRKDM4E
SCHEMBL3511612 0.69 LMNA (0.59) ALDH1A1POLBRAB9AMYCTSHR
SCHEMBL18367783 0.69 TP53 (0.56) ALDH1A1POLBRAB9ATP53MYC
SCHEMBL10431255 0.69 ALDH1A1 (0.48) ALDH1A1RAB9AFGFR1SRCTP53
SCHEMBL3070854 0.68 TSHR (0.42) ALDH1A1POLBRAB9AFGFR1SRC
SCHEMBL3038422 0.68 USP2 (0.46) FGFR1SRCTSHRKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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 (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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R ALDH1A1 3930/4885POLB 4829/4885RAB9A 2224/4885

“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.