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SCHEMBL2018204

SCHEMBL2018204

CC(C)C(=O)N[C@H]1CCN(c2c(C(C)Nc3ncnc4[nH]cnc34)cc(Cl)c3cccnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.41
▸ BTK Q06187 7/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ ALOX12 P18054 4/20 0.36
▸ NCOA3 Q9Y6Q9 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ TEC P42680 1/20 0.35
▸ TXK P42681 1/20 0.35
▸ BMX P51813 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ HMOX1 P09601 1/20 0.34
▸ PIK3R2 O00459 1/20 0.34
▸ KDM4D Q6B0I6 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL2054000 0.95 PIK3CD (0.40) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL2165765 0.93 PIK3CD (0.42) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL2016572 0.93 NPC1 (0.42) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL12469950 0.92 PIK3CD (0.41) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL2014683 0.91 NPC1 (0.43) PIK3CDBTKL3MBTL1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL2015207 0.89 PIK3CD (0.40) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL2016479 0.89 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12
SCHEMBL2017747 0.89 NPC1 (0.43) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL12468351 0.87 SMO (0.42) PIK3CDBTKL3MBTL1NPC1RAB9A
SCHEMBL2014568 0.87 PIK3CD (0.42) PIK3CDL3MBTL1NPC1RAB9AALOX12

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 claimed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US claimed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO claimed
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
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 PIK3CD 13/4885BTK 12/4885L3MBTL1 2960/4885

“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.