SCHEMBL2013604

SCHEMBL2013604

CC(O)c1cc(Cl)c(CC=O)c(C=O)c1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.40
GCGR P47871 1/20 0.33
PTGES O14684 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
RORC P51449 1/20 0.31
XPO1 O14980 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
LGMN Q99538 1/20 0.30

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
SCHEMBL2013606 0.79 AR (0.39) ARGCGRMEN1KMT2A
SCHEMBL14735967 0.71 PDE2A (0.31)
SCHEMBL15621301 0.67 AR (0.47) ARGCGRTRPM8MEN1KMT2A
SCHEMBL2014651 0.67 PIK3CD (0.39) GCGR
SCHEMBL2019258 0.66 PIK3CD (0.58) GCGR
SCHEMBL2163762 0.66 PIK3CD (0.58) GCGR
SCHEMBL2035181 0.66 PIK3CD (0.40) GCGRTRPM8
SCHEMBL2015782 0.64 NT5E (0.36) MEN1KMT2A
SCHEMBL2016569 0.64 NT5E (0.36) ROCK2MEN1KMT2A
SCHEMBL10278951 0.64 DPP4 (0.40) GCGR

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
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 AR 39/4885GCGR 251/4885PTGES 1752/4885

“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.