SCHEMBL17517541

SCHEMBL17517541

CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3ccsc3)c21)n1c2ccccc2c2ccnc(-c3ccsc3)c21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.35
▸ MCL1 Q07820 4/20 0.32
▸ FAAH O00519 1/20 0.32
▸ PTGER1 P34995 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ ATRIP Q8WXE1 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CNR1 P21554 3/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ ADK P55263 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
SCHEMBL17517542 0.83 ALDH1A1 (0.34) UTS2RMCL1
SCHEMBL17517530 0.82 TDO2 (0.39) TDO2UTS2RFAAHATR
SCHEMBL17517529 0.82 TDO2 (0.39) TDO2UTS2RFAAHATR
SCHEMBL17517536 0.82 MCL1 (0.36) UTS2RMCL1ATRATRIPCNR1
SCHEMBL17517526 0.79 CCNA2 (0.38) UTS2RMCL1ATRATRIPCNR1
SCHEMBL17517494 0.79 DYRK1A (0.42) UTS2RMCL1CNR1CNR2
SCHEMBL17517493 0.79 DYRK1A (0.42) UTS2RMCL1CNR1CNR2
SCHEMBL17517517 0.77 UTS2R (0.41) UTS2RCNR1CNR2
SCHEMBL17517515 0.77 UTS2R (0.41) UTS2RCNR1CNR2
SCHEMBL17517560 0.76 — —

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 3232/4885UTS2R 2691/4885MCL1 205/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK TDO2 3274/4885UTS2R 2621/4885MCL1 209/4885

“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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