Sugi Predict

Sugi Predict / Compounds / SCHEMBL2012713

SCHEMBL2012713

SCHEMBL2012713

Fc1cccc(-c2c(CNc3ncnc4[nH]cnc34)cc(Cl)c3ccnnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.55
▸ BCL2 P10415 1/20 0.49
▸ MAP4K4 O95819 4/20 0.37
▸ CLK4 Q9HAZ1 4/20 0.37
▸ AURKA O14965 3/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ RET P07949 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ LTK P29376 1/20 0.37
▸ GRK5 P34947 1/20 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
Trifluoroacetic Acid SCHEMBL2038097 0.93 PIK3CD (0.49) PIK3CDBCL2MAP4K4CLK4AURKA
SCHEMBL2016865 0.91 PIK3CD (0.56) PIK3CDBCL2MAP4K4CLK4AURKA
SCHEMBL2051059 0.90 PIK3CD (0.53) PIK3CDBCL2MAP4K4CLK4AURKA
SCHEMBL2012486 0.83 PIK3CD (0.46) PIK3CDBCL2LMNAHTTMEN1
SCHEMBL2016719 0.82 PIK3CD (0.47) PIK3CDBCL2MAP4K4CLK4AURKA
SCHEMBL2052089 0.81 PIK3CD (0.48) PIK3CDBCL2MAP4K4CLK4AURKA
SCHEMBL31405546 0.81 PIK3CD (0.79) PIK3CDBCL2MAP4K4AXLMERTK
SCHEMBL30194068 0.81 PIK3CD (0.79) PIK3CDBCL2MAP4K4AXLMERTK
SCHEMBL2163350 0.81 PIK3CD (0.79) PIK3CDBCL2MAP4K4AXLMERTK
SCHEMBL2014247 0.81 PIK3CD (0.79) PIK3CDBCL2MAP4K4AXLMERTK

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
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
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 13/4885BCL2 1174/4885MAP4K4 914/4885

“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.