SCHEMBL2015740

SCHEMBL2015740

CC(N)c1cc(Cl)c2cccnc2c1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALOX12 P18054 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MMP14 P50281 2/20 0.40
SLC40A1 Q9NP59 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MEN1 O00255 1/20 0.40
ALOX15B O15296 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL2015201 0.88 L3MBTL1 (0.46) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL2017230 0.80 PIK3CD (0.58) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL2011285 0.77 PIK3CD (0.57) L3MBTL1ADAMTS5NPC1RAB9A
SCHEMBL2016905 0.77 TP53 (0.43) L3MBTL1CCR1CCR8NPC1KDM4E
SCHEMBL2015741 0.77 L3MBTL1 (0.44) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL2017970 0.76 KDM4E (0.44) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL2015203 0.73 CDK1 (0.46) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL13625111 0.73 KDM4E (0.44) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL2017973 0.72 L3MBTL1 (0.43) L3MBTL1CCR1CCR8ADAMTS5NPC1
SCHEMBL8345105 0.71 KDM4E (0.60) L3MBTL1CCR1CCR8ADAMTS5ALOX12

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 L3MBTL1 2960/4885CCR1 601/4885CCR8 1177/4885

“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.