SCHEMBL14903976

SCHEMBL14903976

Cc1c(-c2ccccc2)cccc1-c1cnc2cc(CO)c(CO)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 13/20 0.53
▸ CD274 Q9NZQ7 13/20 0.53
▸ PDGFRB P09619 3/20 0.44
▸ PDGFRA P16234 3/20 0.44
▸ GRIN2B Q13224 1/20 0.38
▸ VSIR Q9H7M9 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL14903958 0.81 PDGFRB (0.51) PDGFRBPDGFRAPSMB5
SCHEMBL21130363 0.80 PDCD1 (0.58) PDCD1CD274PDGFRBPDGFRACYP1A2
SCHEMBL12074044 0.78 PDGFRB (0.72) PDGFRBPDGFRA
SCHEMBL14903961 0.77 PDCD1 (0.48) PDCD1CD274VSIRPSMB5CYP1A2
SCHEMBL14904054 0.73 PDGFRB (0.55) PDGFRBPDGFRA
SCHEMBL14904333 0.72 PDCD1 (0.51) PDCD1CD274CYP1A2CYP3A4CYP2C9
SCHEMBL14903983 0.72 PDGFRB (0.54) PDGFRBPDGFRA
SCHEMBL14926984 0.71 PDCD1 (0.47) PDCD1CD274CYP1A2CYP3A4CYP2C9
SCHEMBL29558512 0.70 CD274 (1.00) PDCD1CD274
SCHEMBL358303 0.70 CD274 (1.00) PDCD1CD274

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 PDCD1 4650/4885CD274 4594/4885PDGFRB 4726/4885

“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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