Sugi Predict

Sugi Predict / Compounds / SCHEMBL16696952

SCHEMBL16696952

SCHEMBL16696952

COc1ccccc1Cn1cc(-c2ccc(C(=O)O)cc2)c2ncc(-c3c(C)noc3C)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.60
▸ BRD2 P25440 1/20 0.45
▸ CYP2D6 P10635 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL16696786 0.93 BRD4 (0.52) BRD4CYP2D6CYP1A2CYP3A4TSHR
SCHEMBL16696546 0.89 BRD4 (0.61) BRD4BRD2
SCHEMBL16697074 0.88 BRD4 (0.65) BRD4BRD2
SCHEMBL16696847 0.87 BRD4 (0.58) BRD4BRD2
SCHEMBL16697140 0.85 BRD4 (0.69) BRD4BRD2CYP3A4CYP2C9FFAR2
SCHEMBL16697371 0.84 BRD4 (0.56) BRD4BRD2
SCHEMBL16696978 0.84 BRD4 (0.51) BRD4KDM4ESMN1; SMN2TDP1HTT
SCHEMBL16697558 0.83 BRD4 (0.61) BRD4
SCHEMBL16697527 0.83 BRD4 (0.61) BRD4BRD2
SCHEMBL16697571 0.83 BRD4 (0.57) BRD4BRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 — — US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 — — US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 — — US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 — — US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 — — US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 — — US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 — — US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 — — US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 — — 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-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885CYP2D6 8/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885CYP2D6 8/4885

“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.