SCHEMBL1880055

SCHEMBL1880055

CC(=O)C(Br)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 7/20 0.43
SMARCA4 P51532 6/20 0.43
RECQL P46063 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
FFAR2 O15552 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
LOX P28300 1/20 0.34
LOXL3 P58215 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL8241576 0.81 KDM1A (0.36)
SCHEMBL30003331 0.76 RECQL (0.44) SMARCA2SMARCA4RECQLTAS1R3TAS1R1
SCHEMBL24724094 0.76 RECQL (0.44) SMARCA2SMARCA4RECQLTAS1R3TAS1R1
SCHEMBL27780914 0.75 SMARCA2 (0.41) SMARCA2SMARCA4RECQLTAS1R3TAS1R1
SCHEMBL2183698 0.74 AKR1C3 (0.44) RECQLAKR1C3AKR1C2
SCHEMBL25683806 0.74 CYP3A4 (0.40) EPHX1
SCHEMBL27752251 0.73 SMARCA2 (0.38) SMARCA2SMARCA4RECQLFFAR2CCNC
SCHEMBL4940750 0.73 SLC6A3 (0.49) KCNH2BRD4
SCHEMBL30003916 0.72 RECQL (0.44) SMARCA2SMARCA4RECQLFFAR2AKR1C3
SCHEMBL4330263 0.72 RECQL (0.44) SMARCA2SMARCA4RECQLFFAR2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157091-B1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8404684-B2 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2013-03-26 US disclosed
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 US disclosed
EP-2157091-A1 Inhibitors of phosphatidylinositol 3-kinase Novartis AG (CH) 2010-02-24 EP disclosed
EP-1622897-B1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2009-10-14 EP disclosed
US-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 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 (3 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-20070032487-A1 Inhibitors of phosphatidylinositol 3-kinase PIK3CA, PIP4K2C, PIP4K2B SMARCA2 1616/4885SMARCA4 1383/4885RECQL 1202/4885
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C SMARCA2 1542/4885SMARCA4 1306/4885RECQL 1187/4885
US-20130172349-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C SMARCA2 1542/4885SMARCA4 1306/4885RECQL 1187/4885

“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.