SCHEMBL4412336

SCHEMBL4412336

Cc1ccc(-c2c(C(C)(C)C)n[nH]c2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
IKBKB O14920 2/20 0.37
MAP3K14 Q99558 1/20 0.37
CHUK O15111 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
LMNA P02545 2/20 0.35
AKT2 P31751 1/20 0.35
HEXA P06865 1/20 0.35

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
SCHEMBL20837302 0.85 ENPP1 (0.41) SMN1; SMN2NPC1GAAIKBKBMAP3K14
SCHEMBL1012506 0.84 AKT2 (0.47) SMN1; SMN2NPC1GAAKMT2AMEN1
SCHEMBL4898151 0.83 KDM4E (0.51) SMN1; SMN2NPC1GAAKMT2AMEN1
SCHEMBL19459337 0.82 KIF11 (0.42) NPC1IKBKBKMT2AMEN1ALDH1A1
SCHEMBL6572637 0.81 HPGDS (0.41) NPC1GAAIKBKBMAP3K14CHUK
SCHEMBL8490498 0.79 CCNE2 (0.44) SMN1; SMN2NPC1GAAKMT2AMEN1
SCHEMBL842957 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1GAAIKBKBMAP3K14
SCHEMBL7472539 0.76 USP7 (0.36) KMT2AMEN1ALDH1A1MITFTP53
SCHEMBL4009647 0.76 MAPK1 (0.47) KMT2AALDH1A1MAPK1LMNA
SCHEMBL6632491 0.74 MKNK1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
US-20070010548-A1 Compounds having inhibitive activity of phosphatidylinositol 3-kinase and methods of use thereof ZENTARIS GMBH (DE) 2007-01-11 US disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
EP-1648463-A2 COMPOUNDS HAVING INHIBITIVE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF Zentaris GmbH (DE) 2006-04-26 EP disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed
WO-2005016245-A2 COMPOUNDS HAVING INHIBITIVE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF ZENTARIS GMBH (DE) 2005-02-24 WO disclosed
EP-1480973-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-01 EP disclosed
WO-2003072569-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 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-20070010548-A1 Compounds having inhibitive activity of phosphatidylinositol 3-kinase and methods of use thereof IPMK, PI4KB, PDPK1 SMN1; SMN2 4567/4885NPC1 3590/4885GAA 1644/4885

“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.