SCHEMBL4255272

SCHEMBL4255272

Cc1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 5/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.41
TRPC5 Q9UL62 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL4240742 0.84 GRM2 (0.44) LMNASMN1; SMN2MAPTMAPK1POLB
SCHEMBL4391668 0.84 MAPT (0.54) LMNASMN1; SMN2MAPTMAPK1POLB
SCHEMBL4249647 0.83 REV1 (0.48) LMNAGAAMAPTMAPK1POLB
SCHEMBL4252187 0.82 KDM4E (0.52) LMNAMAPTMAPK1POLBNPSR1
SCHEMBL4243305 0.82 MAPT (0.48) LMNASMN1; SMN2MAPTMAPK1POLB
SCHEMBL4250631 0.82 SLC6A2 (0.50) LMNASMN1; SMN2MAPTMAPK1POLB
SCHEMBL4250845 0.81 GRM2 (0.46) LMNAMAPTMAPK1POLBNPSR1
SCHEMBL4246582 0.81 DRD3 (0.54) LMNAMAPTMAPK1POLBNPSR1
SCHEMBL4253037 0.81 MAPT (0.60) LMNASMN1; SMN2MAPTMAPK1KDM4E
SCHEMBL4242887 0.80 DRD4 (0.55) LMNASMN1; SMN2MAPTMAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 LMNA 2895/4885SMN1; SMN2 3497/4885GAA 2079/4885

“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.