Sugi Predict

Sugi Predict / Compounds / SCHEMBL2166504

SCHEMBL2166504

SCHEMBL2166504

CC(N)c1cc(Cl)c2cccnc2c1N1CC[C@H](F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ ALOX12 P18054 4/20 0.40
▸ PPP1CA P62136 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NCOA3 Q9Y6Q9 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ L3MBTL1 Q9Y468 6/20 0.39
▸ HSP90AA1 P07900 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 4/20 0.38

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
SCHEMBL2016205 0.95 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2164240 0.93 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL12631388 0.89 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2011474 0.88 SLC40A1 (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2163266 0.86 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL12632109 0.86 SLC40A1 (0.46) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2163933 0.85 ALDH1A1 (0.40) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2015906 0.85 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL2014587 0.84 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL12631334 0.84 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKDM4EMAPT

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 7 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-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
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 ALDH1A1 3722/4885NPC1 3274/4885RAB9A 726/4885

“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.