SCHEMBL1707938

SCHEMBL1707938

Cc1c(CO)cccc1-n1c([C@H]2CCCO2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
USP2 O75604 5/20 0.38
PKM P14618 2/20 0.38
PIK3R2 O00459 3/20 0.34
PIK3C2B O00750 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR3A P46098 1/20 0.33
PIK3CD O00329 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL1707985 0.87 CYP2D6 (0.38) DHFR
SCHEMBL1708229 0.84 DHFR (0.39) DHFRUSP2PKMPIK3R2HTR2B
SCHEMBL1707983 0.83 CFTR (0.41) DHFRUSP2PKMSMN1; SMN2TP53
SCHEMBL3794485 0.81 DHFR (0.33) DHFRUSP2PKMPIK3CAPIK3CB
SCHEMBL10292325 0.78 FFAR1 (0.38) USP2PKMNPSR1SMN1; SMN2
SCHEMBL1708131 0.78 FFAR1 (0.38) USP2PKMNPSR1SMN1; SMN2
SCHEMBL10291346 0.77 LMNA (0.39) USP2PKMNPSR1SMN1; SMN2
SCHEMBL1708368 0.77 LMNA (0.33) USP2PKMNPSR1SMN1; SMN2MAPK1
SCHEMBL1708130 0.72 CYP2D6 (0.42) DHFRALDH1A1
SCHEMBL1708114 0.72 DHFR (0.41) DHFRSMN1; SMN2MAPK1PIK3CAPIK3CB

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 DHFR 4540/4885USP2 4493/4885PKM 4189/4885

“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.