Sugi Predict

Sugi Predict / Compounds / SCHEMBL2165293

SCHEMBL2165293

SCHEMBL2165293

CC(Nc1ncnc2[nH]cnc12)c1cc(Cl)c2cccnc2c1N1CCC(N2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 5/20 0.43
▸ SOS1 Q07889 5/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ PPP1CA P62136 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX12 P18054 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
SCHEMBL2017405 0.94 PIK3CD (0.43) PIK3CDSOS1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2163349 0.93 PIK3CD (0.40) PIK3CDSOS1ALKKDM4EALDH1A1
SCHEMBL2017826 0.93 PIK3CD (0.44) PIK3CDSOS1KDM4EALDH1A1MAPT
SCHEMBL2013639 0.93 PIK3CD (0.45) PIK3CDKDM4EALDH1A1MAPTHTT
SCHEMBL12631373 0.91 PIK3CD (0.49) PIK3CDKDM4EALDH1A1MAPTHTT
SCHEMBL12470100 0.90 PIK3CD (0.45) PIK3CDKDM4EALDH1A1MAPTHTT
SCHEMBL2017133 0.89 PIK3CD (0.48) PIK3CDKDM4EALDH1A1MAPTHTT
SCHEMBL2017049 0.89 PIK3CD (0.46) PIK3CDKDM4EALDH1A1MAPTHTT
SCHEMBL2014219 0.87 PIK3CD (0.45) PIK3CDSOS1KDM4EALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL2054114 0.87 PIK3CD (0.40) PIK3CDKDM4EALDH1A1HTTL3MBTL1

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 6 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
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

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 13/4885SOS1 2308/4885CCR4 742/4885

“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.