SCHEMBL17704036

SCHEMBL17704036

N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cc(-c6ccncc6)cc(-c6cnc7ccccc7c6)c5)ccc3O4)ccc1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ PIK3CA P42336 12/20 0.37
▸ MTOR P42345 9/20 0.37
▸ PIK3C2A O00443 2/20 0.37
▸ PIK3C2B O00750 2/20 0.37
▸ PIK3CD O00329 8/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PRKDC P78527 3/20 0.35
▸ ATM Q13315 3/20 0.35
▸ ATR Q13535 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ MET P08581 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ NEK2 P51955 1/20 0.35

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
SCHEMBL17704044 0.93 PIK3CA (0.40) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704035 0.91 ROCK2 (0.32) —
SCHEMBL17703215 0.87 CYP2A6 (0.41) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704069 0.84 PIK3CA (0.40) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704025 0.84 CYP2A6 (0.41) PIK3CAMTORPIK3C2APIK3C2BPIK3CD
SCHEMBL17704059 0.83 TNKS2 (0.32) —
SCHEMBL17704045 0.82 CYP11B2 (0.41) ABCG2BACE1
SCHEMBL17704002 0.82 MYC (0.41) PIK3CAPIK3CDCSF1RMAP4K2AURKB
SCHEMBL17704041 0.81 MYC (0.40) CSF1RMAP4K2AURKBCLK4ALK
SCHEMBL17703998 0.81 CYP1A2 (0.33) PIK3CAPIK3CDCSF1RMAP4K2AURKB

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 PDGFRB 3765/4885PDGFRA 3149/4885PIK3CA 4374/4885

“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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