SCHEMBL2016169

SCHEMBL2016169

COC[C@H]1CCCN1c1c(C(=O)N(C)OC)cc(Cl)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
IDH1 O75874 2/20 0.39
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2165106 0.88 ADORA2A (0.45) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL2015993 0.80 SLC40A1 (0.44) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL2015903 0.78 METAP2 (0.39) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL2014720 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL2015604 0.77 METAP2 (0.40) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL2163166 0.77 ALDH1A1 (0.39) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL2011831 0.77 HTT (0.42) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL2018396 0.75 SMO (0.42) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL2014132 0.74 NPSR1 (0.39) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL2014967 0.73 KMT2A (0.54) ALDH1A1MEN1KMT2ANPSR1CYP1A2

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 ADORA2A 1513/4885ADORA1 2197/4885ALDH1A1 3722/4885

“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.