SCHEMBL6354898

SCHEMBL6354898

O/N=C1\CCCc2c1[nH]c1ccc(C(F)(F)F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
MPL P40238 1/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KIF11 P52732 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
GSK3B P49841 3/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43

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
SCHEMBL6240551 1.00 PTGES (0.51) PTGESMPLMAPTKDM4ELMNA
SCHEMBL6238525 0.80 PTGES (0.79) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL4259083 0.80 PTGES (0.55) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL13925722 0.80 KDM4E (0.70) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL6359382 0.80 PTGES (0.79) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL4165074 0.80 MAPT (0.70) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL4165075 0.80 MAPT (0.70) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL4259081 0.80 PTGES (0.55) PTGESMAPTKDM4ELMNACYP1A2
SCHEMBL16433459 0.80 KIF11 (0.49) PTGESMPLMAPTKDM4ELMNA
SCHEMBL4151545 0.80 KDM4E (0.63) MPLMAPTKDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 US 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 (2 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 PTGES 2785/4885MPL 1032/4885MAPT 1892/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 PTGES 2638/4885MPL 862/4885MAPT 2076/4885

“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.