SCHEMBL23519931

SCHEMBL23519931

Cc1cc2c(C(=O)N(C)C)nn(C)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ GRIN2B Q13224 6/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL18911994 0.84 ADORA2A (0.37) PDK1PDK2ADORA2AADORA2BDAO
SCHEMBL23520038 0.80 BAZ2B (0.45) SYKPDK1PDK2ADORA2AADORA2B
SCHEMBL13106283 0.73 ADORA2A (0.64) ADORA2AADORA2BDAO
SCHEMBL18911885 0.72 MAP2K2 (0.43) MAPK14DAOGFERGAAALDH1A1
SCHEMBL21226504 0.72 PDK1 (0.42) PDK1PDK2ADORA2AADORA2BGAA
SCHEMBL23940247 0.71 KDM4E (0.57) KCNH2ALDH1A1
SCHEMBL21936787 0.70 ADORA2A (0.38) ADORA2AADORA2BDAOALDH1A1
SCHEMBL22506623 0.69 ELANE (0.41) PDK1PDK2GAAALDH1A1NPC1
SCHEMBL30599793 0.69 ELANE (0.41) PDK1PDK2GAAALDH1A1NPC1
SCHEMBL13106402 0.68 ADORA2A (0.39) ADORA2AADORA2BDAOKCNH2GAA

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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 — — 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-20210177826-A1 ANTI-TUMOR EFFECT POTENTIATOR USING NOVEL BIPHENYL COMPOUND KDM1B, KDM1A, DOT1L SYK 3608/4885PDK1 1035/4885PDK2 1989/4885

“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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