SCHEMBL20012979

SCHEMBL20012979

CC(C)c1cnc2ccc(CC(C)c3cnc4cc(Cl)ccc4c3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ NR4A2 P43354 1/20 0.33
▸ TEC P42680 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5AP P20292 3/20 0.32
▸ MAOB P27338 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.32
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL40697 0.83 PDGFRB (0.50) PDGFRBPDGFRANR4A2KCNH2TDP1
SCHEMBL29904777 0.83 PDGFRB (0.50) PDGFRBPDGFRANR4A2KCNH2TDP1
SCHEMBL20012970 0.82 DAO (0.46) PDGFRBPDGFRANR4A2TECPIK3CD
SCHEMBL25728286 0.81 HTR2A (0.47) PIK3CDKCNH2HTR2AHTR2CHTR2B
SCHEMBL23747186 0.81 KLKB1 (0.33) HTR2AHTR2CHTR2BKLKB1MAP4K1
SCHEMBL20009337 0.80 HRH4 (0.38) PDGFRBPDGFRANR4A2HRH4FGFR3
SCHEMBL21880734 0.79 MET (0.41) KCNH2
SCHEMBL24758455 0.79 HTR2A (0.47) PIK3CDKCNH2HTR2AHTR2CHTR2B
SCHEMBL3632278 0.77 PDGFRB (0.45) PDGFRBPDGFRANR4A2KCNH2TDP1
SCHEMBL21282890 0.77 HTR2A (0.35) PIK3CDALOX5APHTR2AHTR2CHTR2B

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-10479770-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-11-19 — — US disclosed
US-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 — — 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 (2 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-20180086719-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, PI4KA PDGFRB 829/4885PDGFRA 964/4885NR4A2 2935/4885
US-10479770-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, PI4KA PDGFRB 829/4885PDGFRA 964/4885NR4A2 2935/4885

“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.

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