SCHEMBL1707986

SCHEMBL1707986

Cc1c(C=O)cccc1-n1c(C(F)(F)F)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
PIK3CB P42338 1/20 0.42
TP53 P04637 2/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.39
APEX1 P27695 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.37
GSR P00390 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL4776780 0.88 MAPK1 (0.50) MAPK1PIK3CBTP53TSHRALDH1A1
SCHEMBL1708124 0.78 MAPK1 (0.48) MAPK1PIK3CBTP53TSHRALDH1A1
SCHEMBL1707973 0.77 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL1707974 0.76 MAPK1 (0.47) MAPK1TP53TSHRALDH1A1APEX1
SCHEMBL2091385 0.72 MAPK1 (0.50) MAPK1PIK3CBTSHRALDH1A1LMNA
SCHEMBL1708119 0.71 L3MBTL1 (0.41) TSHRALDH1A1KDM4EGSR
SCHEMBL10041277 0.70 MAPK1 (0.48) MAPK1PIK3CBTP53TSHRALDH1A1
SCHEMBL12937256 0.70 MAPK1 (0.74) MAPK1PIK3CBTP53TSHRALDH1A1
SCHEMBL10041283 0.69 MAPK1 (0.56) MAPK1PIK3CBTP53TSHRALDH1A1
SCHEMBL17378596 0.69 MAPK1 (0.59) MAPK1PIK3CBTSHRALDH1A1LMNA

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 326/4885PIK3CB 1850/4885TP53 3018/4885

“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.