SCHEMBL17102964

SCHEMBL17102964

O=[N+]([O-])c1ccc(Cl)c(-c2nccc3c4ccccc4n(CCCCCCCCCn4c5ccccc5c5ccnc(-c6cc([N+](=O)[O-])ccc6Cl)c54)c23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.54
▸ CDK1 P06493 1/20 0.54
▸ CCNB1 P14635 1/20 0.54
▸ CCNA2 P20248 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ CCNA1 P78396 1/20 0.54
▸ CCNB3 Q8WWL7 1/20 0.54
▸ MAPT P10636 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MCL1 Q07820 6/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ P2RX4 Q99571 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL17517527 1.00 CCNB2 (0.54) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17102958 1.00 CCNB2 (0.54) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17517558 0.97 CCNB2 (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17102972 0.81 MCL1 (0.50) MCL1MAOAMAOB
SCHEMBL17102962 0.81 MCL1 (0.50) MCL1MAOAMAOB
SCHEMBL17517557 0.81 MCL1 (0.50) MCL1MAOAMAOB
SCHEMBL17517528 0.80 CCNB2 (0.50) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17517525 0.78 MCL1 (0.51) CCNA2CDK2CCNA1MCL1MAOA
SCHEMBL20340619 0.75 MCL1 (0.53) CCNA2CDK2CCNA1MCL1MAOA
SCHEMBL28805496 0.74 MCL1 (0.47) CCNA2CDK2CCNA1MAPTMEN1

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 5 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-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
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
EP-2924042-A1 BIS- -CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2015-09-30 — — EP 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 CCNB2 262/4885CDK1 583/4885CCNB1 121/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK CCNB2 537/4885CDK1 599/4885CCNB1 309/4885

“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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