SCHEMBL17704069

SCHEMBL17704069

CC1(C)c2cc(-c3cccc(-c4cnc5ccccc5c4)c3)ccc2Oc2ccc(-c3ccc4c(c3)c3cc(C#N)ccc3n4-c3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.40
▸ MTOR P42345 11/20 0.40
▸ PIK3C2A O00443 2/20 0.40
▸ PIK3C2B O00750 2/20 0.40
▸ PIK3CD O00329 10/20 0.39
▸ PIK3CG P48736 6/20 0.39
▸ PIK3CB P42338 5/20 0.39
▸ PRKDC P78527 3/20 0.39
▸ ATM Q13315 3/20 0.39
▸ ATR Q13535 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ MAP4K5 Q9Y4K4 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ NEK2 P51955 1/20 0.39

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
SCHEMBL17704025 0.93 CYP2A6 (0.41) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704044 0.91 PIK3CA (0.40) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704057 0.87 PIK3CA (0.35) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17703991 0.86 CYP1A2 (0.36) PIK3CAPIK3CDCLK4ABCC9
SCHEMBL17704066 0.85 CYP11B2 (0.42) ABCC9
SCHEMBL17704024 0.85 ABCG2 (0.36) PIK3CAMTORPIK3CDCLK4CSF1R
SCHEMBL17704036 0.84 PDGFRB (0.39) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704026 0.84 MYC (0.41) PIK3CAPIK3CDCLK4CSF1RMAP4K2
SCHEMBL17704022 0.84 ABCC9 (0.35) PIK3CAPIK3CDCLK4CSF1RMAP4K2
SCHEMBL17704032 0.83 ABCC9 (0.34) ABCC9

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-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 — — US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — 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-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 PIK3CA 4374/4885MTOR 2950/4885PIK3C2A 4631/4885

“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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