SCHEMBL188615

SCHEMBL188615

O=S(=O)(Nc1nc2ccccc2nc1N1CCNCC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
HTT P42858 5/20 0.64
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 10/20 0.57
KDM4E B2RXH2 7/20 0.56
TP53 P04637 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 2/20 0.56
POLB P06746 1/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
HTR6 P50406 3/20 0.55
CYP1A2 P05177 2/20 0.55

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
Tert-Butyl Formate SCHEMBL27778878 0.88 MAPT (0.57) MAPTMEN1KMT2AHTTLMNA
SCHEMBL190020 0.87 MAPT (0.71) MAPTMEN1KMT2AHTTLMNA
SCHEMBL189476 0.86 MAPT (0.84) MAPTMEN1KMT2AHTTLMNA
SCHEMBL190236 0.85 KDM4E (0.71) MAPTMEN1KMT2AHTTLMNA
SCHEMBL190297 0.79 MAPT (0.57) MAPTMEN1KMT2AHTTLMNA
SCHEMBL188898 0.78 MAPT (0.72) MAPTMEN1KMT2AHTTLMNA
SCHEMBL27858615 0.77 PIK3CA (0.79) HTR6
SCHEMBL2632938 0.76 HTR6 (0.50) MAPTHTTALDH1A1KDM4ECASP1
SCHEMBL30514599 0.76 KDM4E (0.72) MAPTMEN1KMT2AHTTLMNA
SCHEMBL189298 0.76 KDM4E (0.72) MAPTMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885MEN1 1096/4885KMT2A 1033/4885

“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.