SCHEMBL4246579

SCHEMBL4246579

CC1CN(Cc2c[nH]nc2-c2ccc(OC(=O)Nc3ccccc3)cc2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
SGPL1 O95470 1/20 0.39
SMO Q99835 3/20 0.39
HIF1A Q16665 4/20 0.38
EPAS1 Q99814 4/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
MGLL Q99685 2/20 0.37
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN1A P35498 1/20 0.36
SCN5A Q14524 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
SCHEMBL13590967 1.00 LMNA (0.40) LMNAHTTSMN1; SMN2MAPTSGPL1
SCHEMBL4391439 0.90 SMO (0.40) SGPL1SMOCHRM2CHRM1PTGDR2
SCHEMBL4244291 0.90 SMO (0.40) SGPL1SMOCHRM2CHRM1PTGDR2
SCHEMBL4392834 0.90 HIF1A (0.40) LMNASMN1; SMN2MAPTSGPL1SMO
SCHEMBL4241889 0.89 SMO (0.39) SMN1; SMN2SGPL1SMOCHRM2CHRM1
SCHEMBL13590956 0.89 SMO (0.39) SMN1; SMN2SGPL1SMOCHRM2CHRM1
SCHEMBL13590966 0.88 SMO (0.39) SGPL1SMOPTGDR2
SCHEMBL4248845 0.88 SMO (0.39) SGPL1SMOPTGDR2
SCHEMBL4250521 0.85 SMO (0.46) SGPL1SMOMGLLMAPK1PTGDR2
SCHEMBL4250515 0.85 SMO (0.46) SGPL1SMOMGLLMAPK1PTGDR2

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US 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
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 2895/4885HTT 4171/4885SMN1; SMN2 3497/4885

“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.