SCHEMBL21833012

SCHEMBL21833012

N=C(N)NNC(=O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ RAB9A P51151 4/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ GAA P10253 5/20 0.55
▸ HPGD P15428 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ ALPL P05186 1/20 0.49

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
SCHEMBL3715660 0.84 CA2 (0.53) SMN1; SMN2RAB9ANPC1HPGDMEN1
SCHEMBL27405353 0.82 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL27996731 0.79 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL8577101 0.79 CA2 (0.49) SMN1; SMN2RAB9ANPC1HPGDMEN1
SCHEMBL15267942 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL13484481 0.76 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AKDM4ENPC1GAA
SCHEMBL3040275 0.76 RAB9A (0.59) SMN1; SMN2RAB9ANPC1GAAMEN1
SCHEMBL140989 0.75 — —
SCHEMBL8702006 0.74 CES2 (0.62) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL6771010 0.74 HPGD (0.65) SMN1; SMN2RAB9AKDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ITEOS BELGIUM S A (BE) 2023-03-30 — — US disclosed
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers iTeos Belgium SA (BE) 2022-08-30 — — US disclosed
US-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2020-04-02 — — 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 (3 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-20200102319-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 SMN1; SMN2 1727/4885RAB9A 1838/4885KDM4E 2990/4885
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers ADORA2A, ADORA2B, ADORA1 SMN1; SMN2 1727/4885RAB9A 1838/4885KDM4E 2990/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 SMN1; SMN2 1727/4885RAB9A 1838/4885KDM4E 2990/4885

“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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