SCHEMBL2391289

SCHEMBL2391289

CCOc1ncc(Br)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.46
CDK1 P06493 1/20 0.38
CFTR P13569 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
GRM5 P41594 1/20 0.33
AR P10275 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
S1PR4 O95977 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP4K1 Q92918 1/20 0.32
NOTUM Q6P988 1/20 0.32
RXRA P19793 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
SCHEMBL20213958 0.85 SSTR4 (0.41) SSTR4CDK1KDM4EGLAAAK1
SCHEMBL2713610 0.84 SSTR4 (0.49) SSTR4KDM4EAAK1CYP11B1CYP11B2
SCHEMBL29749337 0.83 SSTR4 (0.44) SSTR4HPGDSMN1; SMN2KDM4EAAK1
SCHEMBL13281923 0.83 SSTR4 (0.52) SSTR4AAK1CYP11B1CYP11B2S1PR4
SCHEMBL22638138 0.83 SSTR4 (0.44) SSTR4HPGDSMN1; SMN2KDM4EAAK1
SCHEMBL322071 0.82 SSTR4 (0.42) SSTR4CFTRCYP11B1CYP11B2S1PR4
SCHEMBL30851311 0.82 SSTR4 (0.42) SSTR4CFTRCYP11B1CYP11B2S1PR4
SCHEMBL19155888 0.81 SSTR4 (0.44) SSTR4CDK1CFTRRETKDM4E
SCHEMBL17594774 0.80 SSTR4 (0.34) SSTR4HPGDSMN1; SMN2AAK1GRM5
SCHEMBL28527258 0.79 CDK1 (0.41) CDK1CFTRSMN1; SMN2RETKDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2790705-A1 USE OF INHIBITORS OF THE ACTIVITY OR FUNCTION OF PI3K Novartis AG (CH) 2014-10-22 EP disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
US-20140249139-A1 Quinazoline Derivatives NOVARTIS AG (US) 2014-09-04 US disclosed
WO-2013057711-A1 QUINAZOLINE DERIVATIVES AS PI3K MODULATORS NOVARTIS AG (CH) 2013-04-25 WO disclosed
WO-2013057711-A1 QUINAZOLINE DERIVATIVES AS PI3K MODULATORS NOVARTIS AG (CH) 2013-04-25 WO disclosed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 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 (5 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 SSTR4 1772/4885CDK1 1153/4885CFTR 812/4885
US-20140249139-A1 Quinazoline Derivatives XDH, PIK3CA, PIK3R4 SSTR4 4339/4885CDK1 93/4885CFTR 410/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 SSTR4 1340/4885CDK1 1857/4885CFTR 455/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 SSTR4 1340/4885CDK1 1857/4885CFTR 455/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 SSTR4 3607/4885CDK1 1093/4885CFTR 2069/4885

“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.