SCHEMBL188233

SCHEMBL188233

CC(=O)NC1CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.76
MAP2K2 P36507 18/20 0.76
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
BRAF P15056 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
ACTR3 P61158 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL3112650 0.91 MAP2K1 (0.77) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30221049 0.90 MAP2K1 (0.73) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL6847196 0.90 MAP2K1 (0.73) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413567 0.90 MAP2K1 (0.78) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1488421 0.90 MAP2K1 (0.78) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL188518 0.89 MAP2K1 (0.71) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413418 0.89 MAP2K1 (0.71) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1489029 0.88 MAP2K1 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL20971494 0.88 MAP2K1 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30221015 0.88 MAP2K1 (0.69) MAP2K1MAP2K2CHRM2CHRM1BRAF

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 16 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-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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

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 MAP2K1 65/4885MAP2K2 51/4885CHRM2 4873/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K1 65/4885MAP2K2 51/4885CHRM2 4873/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAP2K1 62/4885MAP2K2 50/4885CHRM2 4834/4885

“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.