SCHEMBL17517526

SCHEMBL17517526

CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3ccccc3Cl)c21)n1c2ccccc2c2ccnc(-c3ccccc3Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.36
▸ MCL1 Q07820 4/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ DPP4 P27487 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32
▸ CNR2 P34972 4/20 0.31
▸ CNR1 P21554 3/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL17517528 0.84 CCNB2 (0.50) CCNA2CDK2CCNA1CNR2CNR1
SCHEMBL17517493 0.81 DYRK1A (0.42) UTS2RMCL1CNR2CNR1
SCHEMBL17517494 0.81 DYRK1A (0.42) UTS2RMCL1CNR2CNR1
SCHEMBL17517529 0.80 TDO2 (0.39) UTS2RTLR8ATR
SCHEMBL17517530 0.80 TDO2 (0.39) UTS2RTLR8ATR
SCHEMBL17517541 0.79 TDO2 (0.40) UTS2RMCL1ATRATRIPCNR2
SCHEMBL17517536 0.79 MCL1 (0.36) UTS2RMCL1ATRATRIPCNR2
SCHEMBL28805496 0.79 MCL1 (0.47) CCNA2CDK2CCNA1MCL1TLR8
SCHEMBL17517515 0.79 UTS2R (0.41) UTS2RCNR2CNR1
SCHEMBL17517517 0.79 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 CCNA2 1198/4885CDK2 457/4885CCNA1 359/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK CCNA2 1571/4885CDK2 536/4885CCNA1 427/4885

“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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