SCHEMBL2163166

SCHEMBL2163166

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 4/20 0.39
PPP1CA P62136 2/20 0.39
ALPL P05186 1/20 0.39
ADAM17 P78536 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
METAP2 P50579 1/20 0.38
ADORA2A P29274 4/20 0.37
ADORA1 P30542 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
HSP90AA1 P07900 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALOX12 P18054 2/20 0.37
FFAR2 O15552 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL2015604 0.83 METAP2 (0.40) ALDH1A1KDM4EMAPTHTTTDP1
SCHEMBL2013776 0.83 PIK3CD (0.42) METAP2ADORA2AADORA1L3MBTL1NPC1
SCHEMBL2165106 0.81 ADORA2A (0.45) ALDH1A1KDM4EMAPTHTTADORA2A
SCHEMBL2015903 0.80 METAP2 (0.39) ALDH1A1KDM4EMAPTHTTTDP1
SCHEMBL2164749 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHTTPPP1CA
SCHEMBL2163453 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHTTPPP1CA
SCHEMBL2163266 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHTTPPP1CA
SCHEMBL2016169 0.77 ADORA2A (0.40) ALDH1A1KDM4EMAPTHTTMETAP2
Trifluoroacetic Acid SCHEMBL2052205 0.77 PIK3CD (0.40) ADORA2AADORA1L3MBTL1NPC1RAB9A
SCHEMBL12632004 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHTTPPP1CA

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 2 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

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 ALDH1A1 3722/4885KDM4E 1058/4885MAPT 4496/4885

“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.