SCHEMBL17517530

SCHEMBL17517530

CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3cccnc3)c21)n1c2ccccc2c2ccnc(-c3cccnc3)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP11B2 P19099 2/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ RAD51 Q06609 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ICMT O60725 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ ATR Q13535 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
SCHEMBL17517529 1.00 TDO2 (0.39) TDO2GBA1TBXAS1CYP3A4CYP2D6
SCHEMBL17517536 0.89 MCL1 (0.36) UTS2RATR
SCHEMBL17517541 0.82 TDO2 (0.40) TDO2UTS2RFAAHATR
SCHEMBL17517542 0.80 ALDH1A1 (0.34) UTS2R
SCHEMBL17517526 0.80 CCNA2 (0.38) UTS2RTLR8ATR
SCHEMBL17517494 0.80 DYRK1A (0.42) UTS2R
SCHEMBL17517493 0.80 DYRK1A (0.42) UTS2R
SCHEMBL17517515 0.78 UTS2R (0.41) UTS2R
SCHEMBL17517517 0.78 UTS2R (0.41) UTS2R
SCHEMBL17102971 0.75 MAOA (0.53) TDO2TBXAS1CYP2D6CYP11B2RAD51

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 3232/4885GBA1 912/4885TBXAS1 3698/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK TDO2 3274/4885GBA1 977/4885TBXAS1 3993/4885

“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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