SCHEMBL23876533

SCHEMBL23876533

Cc1cc2c(nc(C)n2N)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.37
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ SMN1; SMN2 Q16637 3/20 0.30
▸ HPGD P15428 2/20 0.30
▸ HTT P42858 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL12562945 0.78 ADORA2A (0.41) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL23876557 0.75 PTGER4 (0.35) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL19366625 0.73 DCTPP1 (0.36) ALDH1A1SMN1; SMN2TSHR
SCHEMBL31210378 0.71 ADORA2A (0.46) ADORA2AADORA2BADORA1KDM4EALDH1A1
SCHEMBL23459658 0.71 RPS6KA3 (0.38) EGFRKDM4EALDH1A1RAB9AGAA
SCHEMBL23876548 0.66 PTGER4 (0.42) ALDH1A1NOS3NOS1HTTTP53
SCHEMBL9386422 0.64 USP14 (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL19939403 0.64 ADORA2A (0.36) ADORA2AADORA2BADORA1KDM4ESMN1; SMN2
SCHEMBL23109112 0.63 PTGER4 (0.36) KDM4EALDH1A1HPGDHTTTSHR
SCHEMBL21621541 0.63 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300921-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF ASKAT INC. (JP) 2021-09-30 — — 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 (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-20210300921-A1 EP4 INHIBITORS AND SYNTHESIS THEREOF PTGER4, EPB41, CDK4 EGFR 986/4885ADORA2A 3501/4885ADORA2B 2037/4885

“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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