SCHEMBL1707974

SCHEMBL1707974

COC(=O)c1cccc(-n2c(C(F)(F)F)nc3ccccc32)c1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
MYC P01106 1/20 0.44
APEX1 P27695 1/20 0.43
LMNA P02545 4/20 0.43
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1708403 0.86 ALDH1A1 (0.44) ALDH1A1POLBRAB9ATP53MYC
SCHEMBL1707968 0.81 TSHR (0.47) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL15465181 0.81 ALDH1A1 (0.45) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL1708020 0.81 L3MBTL1 (0.52) MAPK1ALDH1A1TSHRPOLBRAB9A
SCHEMBL1707966 0.80 ALDH1A1 (0.44) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL1707881 0.80 TSHR (0.46) ALDH1A1TSHRPOLBRAB9AMYC
SCHEMBL1708075 0.79 TSHR (0.45) ALDH1A1TSHRPOLBRAB9AMYC
SCHEMBL1708039 0.79 TSHR (0.45) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL1708107 0.77 TSHR (0.46) ALDH1A1TSHRPOLBRAB9ATP53
SCHEMBL1708022 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPOLBRAB9ATP53

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 MAPK1 326/4885ALDH1A1 3930/4885TSHR 637/4885

“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.