SCHEMBL21083369

SCHEMBL21083369

Cc1ccc2ncc(CN)n2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAP3K14 Q99558 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
USP7 Q93009 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL9116835 0.86 CYP1A2 (0.46) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL22300408 0.84 CYP1A2 (0.50) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL5657000 0.82 CYP1A2 (0.49) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL17815897 0.79 POLB (0.69) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL23872946 0.78 TGFBR1 (0.45) TGFBR1CYP2C9GAAPOLB
SCHEMBL20125088 0.78 CYP1A2 (0.49) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL21083341 0.76 CYP1A2 (0.53) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL20125127 0.76 CYP1A2 (0.53) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL10238918 0.75 CYP1A2 (0.56) TGFBR1CYP1A2CYP2C9KDM4EGLA
SCHEMBL5655359 0.75 CYP1A2 (0.40) TGFBR1CYP1A2CYP2C9KDM4EGLA

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-11053260-B2 Tri-cycle compound and applications thereof FUJIAN COSUNTER PHARMACEUTICAL CO., LTD. (CN) 2021-07-06 US disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
US-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN AKEYLINK BIOTECHNOLOGY CO., LTD. (CN) 2020-08-06 US disclosed
EP-3492461-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF Shanghai Yingli Pharmaceutical Co. Ltd. (CN) 2019-06-05 EP 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-20200247819-A1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF SLC10A1, NR1H4, HAVCR2 TGFBR1 1293/4885CYP1A2 580/4885CYP2C9 254/4885
US-11053260-B2 Tri-cycle compound and applications thereof SLC10A1, NR1H4, HAVCR2 TGFBR1 1293/4885CYP1A2 580/4885CYP2C9 254/4885

“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.