SCHEMBL1708108

SCHEMBL1708108

COC(=O)c1cccc(-n2c(C)nc3ccc(C)cc32)c1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.50
TP53 P04637 5/20 0.45
MYC P01106 1/20 0.43
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL1708045 0.88 ALDH1A1 (0.51) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL1708100 0.88 RAB9A (0.51) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL1708022 0.85 ALDH1A1 (0.48) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL1708107 0.79 TSHR (0.46) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL1708052 0.77 ALDH1A1 (0.48) POLBALDH1A1RAB9ATSHRMYC
SCHEMBL1708054 0.77 ALDH1A1 (0.48) POLBALDH1A1RAB9ATSHRMYC
SCHEMBL1708016 0.75 TSHR (0.57) POLBALDH1A1TSHRTP53MYC
SCHEMBL1708635 0.74 ALDH1A1 (0.46) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL1707968 0.74 TSHR (0.47) POLBALDH1A1RAB9ATSHRTP53
SCHEMBL21621707 0.74 ALDH1A1 (0.50) POLBALDH1A1RAB9ATSHRTP53

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 POLB 4829/4885ALDH1A1 3930/4885RAB9A 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.