SCHEMBL22016881

SCHEMBL22016881

CCc1c(OC)cc(C)n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
BRD4 O60885 8/20 0.43
BRD9 Q9H8M2 8/20 0.43
BRD2 P25440 4/20 0.43
BRD7 Q9NPI1 4/20 0.43
EZH2 Q15910 2/20 0.39
CYP19A1 P11511 3/20 0.37
NQO2 P16083 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TNF P01375 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
SCHEMBL22037773 0.77 PDE3B (0.43) PDE3BPDE3ABRD4BRD9BRD2
SCHEMBL22017507 0.77 KDM4E (0.40) BRD4BRD9EZH2ALDH1A1
SCHEMBL21955358 0.74 PDE3B (0.42) PDE3BPDE3ACYP19A1NQO2ALDH1A1
SCHEMBL24312086 0.71 CYP19A1 (0.37) PDE3BPDE3AEZH2CYP19A1NQO2
SCHEMBL22016469 0.71 PDE3B (0.45) PDE3BPDE3ACYP19A1NQO2ALDH1A1
SCHEMBL20051827 0.70 ITGB1 (0.37) ALDH1A1
SCHEMBL24312389 0.69 LMNA (0.53) PDE3BPDE3ABRD4BRD9BRD2
SCHEMBL22016884 0.68 KMT2A (0.38) ALDH1A1
SCHEMBL22016782 0.68 ITGA4 (0.38) PDE3BPDE3ABRD4BRD9ALDH1A1
SCHEMBL5141794 0.68 ACHE (0.54) PDE3BPDE3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (5 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE3B 87/4885PDE3A 266/4885BRD4 288/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE3B 87/4885PDE3A 266/4885BRD4 288/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR PDE3B 42/4885PDE3A 62/4885BRD4 575/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PDE3B 87/4885PDE3A 266/4885BRD4 288/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR PDE3B 42/4885PDE3A 62/4885BRD4 575/4885

“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.