SCHEMBL21025329

SCHEMBL21025329

CC(C)(C)Cc1ccc2cn[nH]c(=S)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ METAP2 P50579 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ PLK4 O00444 1/20 0.31

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
SCHEMBL19840377 0.78 MAPT (0.53) KDM4EMAPTMEN1KMT2APKM
SCHEMBL12867017 0.74 ROCK1 (0.53) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL9695129 0.70 NOS1 (0.56) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL21025330 0.67 IP6K1 (0.40) KDM4EMAPTESR1RAB9APARP1
SCHEMBL22401904 0.66 ESR1 (0.42) ALDH1A1ESR1THRATHRB
SCHEMBL13187100 0.66 PIK3C3 (0.35) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL6866706 0.65 MAPK1 (1.00) MAPK1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9741300 0.65 MAPT (0.62) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL26171264 0.64 KDM4E (0.48) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL23429681 0.64 MAPT (0.35) MAPK1KDM4EMAPTMEN1KMT2A

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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 — — US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 — — 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 (2 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 MAPK1 341/4885KDM4E 1342/4885MAPT 4056/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 MAPK1 341/4885KDM4E 1342/4885MAPT 4056/4885

“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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