SCHEMBL21832673

SCHEMBL21832673

CNC(=O)c1cc(N2CCNCC2)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
BRD4 O60885 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.42
TOP2A P11388 1/20 0.42
CYP2C9 P11712 1/20 0.42
TOP2B Q02880 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACLY P53396 1/20 0.41
OPRL1 P41146 1/20 0.40
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL29115675 0.94 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL29115489 0.85 ALDH1A1 (0.51) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL8257529 0.84 TSHR (0.54) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20521397 0.83 KDM4E (0.45) ALDH1A1LMNAKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL21832889 0.82 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL20521486 0.80 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL708325 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL25093446 0.79 PARP1 (0.48) ALDH1A1HSD17B10TSHRHTTMAPT
SCHEMBL30542902 0.79 MAPT (0.50) ALDH1A1LMNAHPGDTSHRNPSR1
SCHEMBL531792 0.79 MAPT (0.50) ALDH1A1LMNAHPGDTSHRNPSR1

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
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
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 ALDH1A1 252/4885LMNA 3521/4885KDM4E 2990/4885
US-11427594-B2 Non brain penetrant A2A inhibitors and methods for use in the treatment of cancers ADORA2A, ADORA2B, ADORA1 ALDH1A1 252/4885LMNA 3521/4885KDM4E 2990/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 ALDH1A1 252/4885LMNA 3521/4885KDM4E 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.