SCHEMBL21130363

SCHEMBL21130363

Cc1c(CO)cccc1-c1cnc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 2/20 0.58
▸ CD274 Q9NZQ7 2/20 0.58
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP11 Q9NR21 1/20 0.47
▸ PDGFRB P09619 3/20 0.47
▸ PDGFRA P16234 3/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ CSNK1G2 P78368 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ MAP4K5 Q9Y4K4 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ BIRC5 O15392 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 2/20 0.41
▸ S1PR1 P21453 1/20 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
SCHEMBL21130479 0.82 NPC1 (0.53) PDCD1CD274CYP1A2AKR1C3AKR1C2
SCHEMBL14903976 0.80 PDCD1 (0.53) PDCD1CD274PDGFRBPDGFRACYP1A2
SCHEMBL21130590 0.77 PDCD1 (0.53) PDCD1CD274HSP90AA1S1PR1S1PR3
SCHEMBL24732485 0.77 PDGFRB (0.55) PARP10PARP11PDGFRBPDGFRAMAP4K4
SCHEMBL2198777 0.76 PDGFRB (0.60) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL30547072 0.76 PDGFRB (0.60) PDGFRBPDGFRAMAP4K4CSNK1G2CLK4
SCHEMBL29375329 0.76 CYP1A2 (0.56) PARP10PARP11PDGFRBPDGFRAMAP4K4
SCHEMBL15968103 0.76 CYP1A2 (0.56) PARP10PARP11PDGFRBPDGFRAMAP4K4
SCHEMBL358303 0.75 CD274 (1.00) PDCD1CD274ALDH1A1
SCHEMBL29558512 0.75 CD274 (1.00) PDCD1CD274ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689640-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-01-04 — — CN disclosed
EP-3481815-B1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2020-03-17 — — US disclosed
US-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-20 — — 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-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885PARP10 3012/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885PARP10 3012/4885

“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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