SCHEMBL21130590

SCHEMBL21130590

Cc1c(CO)cccc1-c1cnc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.53
▸ CD274 Q9NZQ7 1/20 0.53
▸ MAPT P10636 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPC1 O15118 9/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ATR Q13535 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ S1PR1 P21453 1/20 0.40

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
SCHEMBL21130533 0.84 PDCD1 (0.42) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL21130425 0.81 CD274 (0.54) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL21130363 0.77 PDCD1 (0.58) PDCD1CD274ALDH1A1HSP90AA1S1PR1
SCHEMBL28331277 0.77 MAPT (0.50) MAPTALDH1A1KMT2AMEN1ALOX12
SCHEMBL21130430 0.77 CD274 (0.53) PDCD1CD274KMT2AMEN1NPC1
SCHEMBL27776929 0.76 NPC1 (0.50) MAPTALDH1A1KMT2AMEN1ALOX12
SCHEMBL11066304 0.75 PDCD1 (0.59) PDCD1CD274KMT2AMEN1NPC1
SCHEMBL9453979 0.74 ALDH1A1 (0.66) MAPTALDH1A1KMT2AMEN1ALOX12
SCHEMBL16245269 0.73 PDCD1 (0.76) PDCD1CD274KMT2AMEN1S1PR1
SCHEMBL11065624 0.73 PDCD1 (0.51) PDCD1CD274NPC1KDM4ESMN1; SMN2

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 30/4885MAPT 4313/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885MAPT 4313/4885

“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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