SCHEMBL2013802

SCHEMBL2013802

CON(C)C(=O)c1cc(Cl)c2cccnc2c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
GAA P10253 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HIF1A Q16665 1/20 0.38
SLC40A1 Q9NP59 2/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
CYP3A4 P08684 2/20 0.37
ALOX12 P18054 2/20 0.37
DHODH Q02127 1/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL2017970 0.83 KDM4E (0.44) KDM4EADAMTS5TDP1NPC1RAB9A
SCHEMBL2014820 0.82 TRPM8 (0.44) KDM4EGAAADAMTS5TDP1NPC1
SCHEMBL2015077 0.81 ALDH1A1 (0.39) KDM4ETDP1NPC1RAB9AL3MBTL1
SCHEMBL2014967 0.80 KMT2A (0.54) KDM4EGAATDP1NPC1RAB9A
SCHEMBL2015013 0.76 HIF1A (0.44) KDM4EGAATDP1L3MBTL1LMNA
SCHEMBL2015201 0.72 L3MBTL1 (0.46) KDM4EADAMTS5TDP1NPC1RAB9A
SCHEMBL2015993 0.71 SLC40A1 (0.44) KDM4EGAATDP1NPC1RAB9A
SCHEMBL2015740 0.70 L3MBTL1 (0.43) KDM4EADAMTS5TDP1NPC1RAB9A
SCHEMBL2015203 0.70 CDK1 (0.46) KDM4EADAMTS5TDP1NPC1RAB9A
SCHEMBL2014720 0.69 ALDH1A1 (0.42) KDM4EGAANPC1RAB9AHTT

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 3 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-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

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 KDM4E 1058/4885GAA 2137/4885ADAMTS5 4400/4885

“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.