SCHEMBL28299549

SCHEMBL28299549

COc1ccccc1-n1c(=O)[nH]c2cnc(NC[C@@H]3CCCN3)nc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.42
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
SYK P43405 3/20 0.40
KCNH2 Q12809 3/20 0.40
MAPK3 P27361 1/20 0.40
MAPK1 P28482 1/20 0.40
AURKB Q96GD4 1/20 0.40
PDE9A O76083 3/20 0.38
MERTK Q12866 2/20 0.38
EHMT2 Q96KQ7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL28298241 1.00 ADORA2A (0.44) ADORA2AADORA1CHRNB4CHRNA3SYK
SCHEMBL15205956 1.00 ADORA2A (0.44) ADORA2AADORA1CHRNB4CHRNA3SYK
SCHEMBL300898 0.81 KDM4E (0.57) MAPK1KDM4EHPGD
SCHEMBL301231 0.81 KDM4E (0.57) MAPK1KDM4EHPGD
SCHEMBL300897 0.81 KDM4E (0.57) MAPK1KDM4EHPGD
SCHEMBL2324816 0.80 ADORA2A (0.48) ADORA2AADORA1CHRNB4CHRNA3SYK
SCHEMBL15205874 0.80 ADORA2A (0.43) ADORA2AADORA1KDM4EHPGDSIGMAR1
SCHEMBL2322021 0.78 ADORA2A (0.51) ADORA2AADORA1MERTKKDM4EHPGD
SCHEMBL29828788 0.78 ADORA2A (0.51) ADORA2AADORA1MERTKKDM4EHPGD
SCHEMBL28298239 0.78 MAPT (0.38) ADORA2AADORA1CHRNB4CHRNA3PDE9A

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-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2022-09-01 US disclosed
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN 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-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR ADORA2A 4525/4885ADORA1 4740/4885CHRNB4 4875/4885

“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.