SCHEMBL6238525

SCHEMBL6238525

Cc1ccc2[nH]c3c(c2c1)CCCC3=NO

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.79
KDM4E B2RXH2 8/20 0.65
MAPT P10636 8/20 0.65
LMNA P02545 6/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.55
TDP1 Q9NUW8 2/20 0.52
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL6359382 1.00 PTGES (0.79) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4259083 0.83 PTGES (0.55) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4165075 0.83 MAPT (0.70) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4165074 0.83 MAPT (0.70) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL13925722 0.83 KDM4E (0.70) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4259081 0.83 PTGES (0.55) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4260313 0.82 KDM4E (0.77) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4171864 0.82 KDM4E (0.77) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4171862 0.82 KDM4E (0.77) PTGESKDM4EMAPTLMNAALDH1A1
SCHEMBL4267576 0.80 MEN1 (0.58) PTGESKDM4EMAPTLMNAALDH1A1

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-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
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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 (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 2785/4885KDM4E 1947/4885MAPT 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 2638/4885KDM4E 2254/4885MAPT 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.