SCHEMBL17517554

SCHEMBL17517554

c1cncc(-c2nccc3c4ccccc4n(Cn4c5ccccc5c5ccnc(-c6cccnc6)c54)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.48
▸ MCL1 Q07820 6/20 0.47
▸ RAD51 Q06609 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ MAOA P21397 4/20 0.40
▸ MAOB P27338 4/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ LCK P06239 1/20 0.39

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
SCHEMBL20340621 0.92 MCL1 (0.52) TDO2MCL1RAD51IDO1LRRK2
SCHEMBL17102969 0.90 MAOA (0.51) TDO2MCL1RAD51CYP11B2MAOA
SCHEMBL17102971 0.88 MAOA (0.53) TDO2MCL1RAD51CYP11B2MAOA
SCHEMBL20340626 0.85 TDO2 (0.51) TDO2MCL1RAD51CYP1A2IDO1
SCHEMBL17122539 0.78 MCL1 (0.47) MCL1CYP1A2CYP2C19CYP2A6
SCHEMBL17517555 0.77 TDO2 (0.49) TDO2MCL1CYP1A2CYP2C19CYP2A6
SCHEMBL20340627 0.76 MCL1 (0.50) MCL1MAOAMAOBACHE
SCHEMBL27910573 0.76 MCL1 (0.53) MCL1
SCHEMBL20340633 0.74 MCL1 (0.50) MCL1CYP1A2CYP2C19CYP2A6MAOA
SCHEMBL17517534 0.74 MCL1 (0.47) MCL1MAOAMAOBACHETBXAS1

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-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2018-07-03 — — US disclosed
US-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2016-02-11 — — 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-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BRCA1, CA7, DCK TDO2 3232/4885MCL1 205/4885RAD51 1752/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK TDO2 3274/4885MCL1 209/4885RAD51 1934/4885

“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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