SCHEMBL3094052

SCHEMBL3094052

Nc1ccc(F)c(-c2ncn[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.53
ENPP2 Q13822 1/20 0.51
MAP4K4 O95819 1/20 0.43
PIK3R2 O00459 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CD O00329 3/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CG P48736 2/20 0.38
PIM1 P11309 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
BRD4 O60885 1/20 0.37
RAF1 P04049 2/20 0.37
BRAF P15056 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL2650856 0.72 CSNK1A1 (0.44) IDO1MAP4K4BRD4KDM4ECYP3A4
SCHEMBL2813076 0.72 BRD4 (0.50) MAP4K4BRD4CYP3A4
SCHEMBL2158677 0.70 ENPP2 (0.61) IDO1ENPP2PIK3CBPIK3CDPIK3CA
SCHEMBL1441332 0.69 IDO1 (0.61) IDO1ENPP2PIK3CBPIK3CDPIK3R1
SCHEMBL3080603 0.68 ENPP2 (1.00) IDO1ENPP2MAP4K4PIK3CBPIK3CD
SCHEMBL2651950 0.67 MAP4K4 (0.44) MAP4K4PIK3CABRD4RAF1BRAF
SCHEMBL11683834 0.67 IDO1 (1.00) IDO1ENPP2KDM4ECYP3A4
SCHEMBL2650530 0.66 MAP4K4 (0.43) MAP4K4BRD4
SCHEMBL3572563 0.66 IDO1 (1.00) IDO1ENPP2KDM4ECYP3A4
SCHEMBL3786455 0.65 MAP4K4 (0.53) MAP4K4PIM1BRD4RAF1BRAF

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 6 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
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

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 IDO1 195/4885ENPP2 41/4885MAP4K4 2952/4885

“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.