SCHEMBL2744304

SCHEMBL2744304

O=c1[nH]c(=O)c2cc(-c3n[nH]cc3CN3C4CCC3CN(c3ccc(C(F)(F)F)cn3)C4)ccc2o1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
SPR P35270 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PARP1 P09874 3/20 0.33
TNK1 Q13470 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TIPARP Q7Z3E1 3/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL2754317 0.88 MAOA (0.37) SPRLMNASMN1; SMN2L3MBTL1HCRTR1
SCHEMBL2744850 0.86 LMNA (0.47) LMNASMN1; SMN2PARP1ALDH1A1GAA
SCHEMBL2743989 0.83 LMNA (0.44) LMNASMN1; SMN2PARP1ALDH1A1GAA
SCHEMBL2743711 0.81 SGPL1 (0.37) MCHR1LMNASMN1; SMN2PARP1MAPT
SCHEMBL2743709 0.81 SGPL1 (0.37) MCHR1LMNASMN1; SMN2PARP1MAPT
SCHEMBL2744108 0.81 SGPL1 (0.37) MCHR1LMNASMN1; SMN2PARP1MAPT
SCHEMBL2744471 0.80 LMNA (0.37) SPRLMNASMN1; SMN2L3MBTL1HCRTR1
SCHEMBL13592446 0.80 LMNA (0.39) LMNASMN1; SMN2L3MBTL1HCRTR1HCRTR2
SCHEMBL4400020 0.77 MAOB (0.45) L3MBTL1PARP1TNK1DGAT1
SCHEMBL2743838 0.76 LMNA (0.37) LMNASMN1; SMN2L3MBTL1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US claimed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP claimed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US claimed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
EP-2167498-B1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-09-15 EP disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US 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 (2 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-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MCHR1 4753/4885SPR 4777/4885LMNA 2876/4885
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K3, IP6K2 MCHR1 4777/4885SPR 4834/4885LMNA 3015/4885

“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.