SCHEMBL3094447

SCHEMBL3094447

Nc1ccc(-c2cccnc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.56
MEN1 O00255 1/20 0.56
PSIP1 O75475 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 3/20 0.52
CYP19A1 P11511 1/20 0.52
TDO2 P48775 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP17A1 P05093 2/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2649494 0.86 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL16405695 0.84 AXL (0.61) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL5684882 0.82 AXL (0.59) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL27824426 0.82 TDO2 (0.56) AKR1C3AKR1C2CYP11B1CYP11B2TDO2
Hydrochloric Acid SCHEMBL5687723 0.81 AXL (0.58) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL21044098 0.79 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL16405691 0.79 MKNK1 (0.56) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL21999637 0.79 TDO2 (0.48) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL12326409 0.79 AKR1C3 (0.57) AKR1C3AKR1C2CYP11B1CYP11B2TDO2
SCHEMBL28094552 0.79 AXL (0.56) AXLMEN1PSIP1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
WO-2018136202-A2 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-07-26 WO disclosed
CN-102470127-A Biaryl compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2012-05-23 CN disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO disclosed
EP-1341769-B1 BACTERIAL GYRASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2007-10-17 EP 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS AXL 4482/4885MEN1 4230/4885PSIP1 4448/4885

“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.