SCHEMBL3941199

SCHEMBL3941199

N#CCC(Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccc3ncccc3c2)ccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.45
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
KDR P35968 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
LCK P06239 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
AKT2 P31751 1/20 0.39
FLT4 P35916 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 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
SCHEMBL3937909 0.93 CCKBR (0.42) AKT1ITGB2ICAM1ITGALKDR
SCHEMBL3943403 0.90 MAPT (0.41) AKT1ITGB2ICAM1ITGALKDR
SCHEMBL13905574 0.86 HPGDS (0.44) ITGB2ICAM1ITGALCTSL
SCHEMBL13905561 0.86 ITGB2 (0.45) ITGB2ICAM1ITGALCTSL
SCHEMBL3940670 0.86 ITGB2 (0.39) ITGB2ICAM1ITGALCCKBRCTSL
SCHEMBL13905545 0.86 ITGB2 (0.45) ITGB2ICAM1ITGALCTSL
SCHEMBL13905578 0.86 P2RY14 (0.43) ITGB2ICAM1ITGALCTSL
SCHEMBL13905558 0.86 TACR1 (0.46) CTSL
SCHEMBL3948668 0.85 CTSL (0.43) AKT1ITGB2ICAM1ITGALCDK2
SCHEMBL13905562 0.85 ITGB2 (0.47) ITGB2ICAM1ITGALCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO claimed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT AKT1 2908/4885ITGB2 2626/4885ICAM1 2801/4885

“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.