SCHEMBL3075280

SCHEMBL3075280

NNc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PLD1 Q13393 1/20 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
SCHEMBL1127534 0.82 LMNA (0.62) KDM4ELMNAPOLBMAPTCA12
SCHEMBL20004086 0.82 POLB (0.59) KDM4ELMNAPOLBPLD1
SCHEMBL3076670 0.77 MAPT (0.53) KDM4ELMNAPOLBMAPTMAPK1
SCHEMBL8308805 0.75 ALDH1A1 (0.52) KDM4ELMNAPOLBMAPTMALT1
SCHEMBL1126830 0.74 ALDH1A1 (0.59) KDM4ELMNAPOLBMAPTMAPK1
SCHEMBL22495420 0.74 LMNA (0.57) KDM4ELMNAPOLBMAPTMAPK1
SCHEMBL15800694 0.72 PLD1 (0.73) KDM4EPOLBMAPTMAPK1MEN1
SCHEMBL21353591 0.72
SCHEMBL29857922 0.72 PLD1 (0.73) KDM4EPOLBMAPTMAPK1MEN1
SCHEMBL1989712 0.71 POLB (0.47) KDM4ELMNAPOLBMEN1KMT2A

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-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 KDM4E 3580/4885LMNA 1934/4885POLB 760/4885

“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.