SCHEMBL13590959

SCHEMBL13590959

CCNC(=O)Nc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
PIK3CA P42336 3/20 0.40
HIF1A Q16665 4/20 0.39
EPAS1 Q99814 4/20 0.39
SMO Q99835 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL4256260 1.00 PIK3CD (0.40) PIK3CDPIK3CAHIF1AEPAS1SMO
SCHEMBL4392834 0.90 HIF1A (0.40) HIF1AEPAS1SMOL3MBTL1MAPT
SCHEMBL4241889 0.88 SMO (0.39) SMOSMN1; SMN2CXCR3
SCHEMBL13590956 0.88 SMO (0.39) SMOSMN1; SMN2CXCR3
SCHEMBL4249318 0.86 SMO (0.41) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4249326 0.86 SMO (0.41) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4250176 0.85 SGPL1 (0.38) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL4250172 0.85 SGPL1 (0.38) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL4250515 0.85 SMO (0.46) SMOCXCR3
SCHEMBL4250521 0.85 SMO (0.46) SMOCXCR3

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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US 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 PIK3CD 24/4885PIK3CA 36/4885HIF1A 4073/4885

“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.