SCHEMBL17517536

SCHEMBL17517536

CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3ccc(C)nc3)c21)n1c2ccccc2c2ccnc(-c3ccc(C)nc3)c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ CNR2 P34972 4/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ ATR Q13535 2/20 0.32
▸ ATRIP Q8WXE1 2/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ DYRK1A Q13627 1/20 0.30

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 0.89 TDO2 (0.39) UTS2RATR
SCHEMBL17517530 0.89 TDO2 (0.39) UTS2RATR
SCHEMBL17517541 0.82 TDO2 (0.40) MCL1UTS2RCNR2CNR1ATR
SCHEMBL17517493 0.81 DYRK1A (0.42) MCL1UTS2RCNR2CNR1DYRK1A
SCHEMBL17517494 0.81 DYRK1A (0.42) MCL1UTS2RCNR2CNR1DYRK1A
SCHEMBL17517542 0.79 ALDH1A1 (0.34) MCL1UTS2R
SCHEMBL17517526 0.79 CCNA2 (0.38) MCL1UTS2RCNR2CNR1ATR
SCHEMBL17517515 0.77 UTS2R (0.41) UTS2RCNR2CNR1
SCHEMBL17517534 0.77 MCL1 (0.47) MCL1
SCHEMBL17517517 0.77 UTS2R (0.41) UTS2RCNR2CNR1

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 MCL1 205/4885UTS2R 2691/4885CNR2 722/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK MCL1 209/4885UTS2R 2621/4885CNR2 783/4885

“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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