SCHEMBL17102963

SCHEMBL17102963

O=[N+]([O-])c1ccc(Cl)c(-c2nccc3c2[nH]c2ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 1.00
▸ CDK1 P06493 1/20 1.00
▸ CCNB1 P14635 1/20 1.00
▸ CCNA2 P20248 1/20 1.00
▸ CDK2 P24941 1/20 1.00
▸ CCNA1 P78396 1/20 1.00
▸ CCNB3 Q8WWL7 1/20 1.00
▸ IDO1 P14902 5/20 0.67
▸ TDO2 P48775 8/20 0.51
▸ HTR2B P41595 4/20 0.51
▸ HTR5A P47898 4/20 0.51
▸ BCHE P06276 2/20 0.51
▸ HTR2C P28335 2/20 0.51
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47

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
SCHEMBL17122548 0.84 CCNB2 (0.72) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL27863465 0.81 IDO1 (1.00) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17102943 0.79 BCHE (0.69) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL1706154 0.78 CCNB2 (0.64) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668213 0.75 CCNB2 (0.60) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL27221285 0.72 CCNB2 (0.57) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL27817460 0.72 TDO2 (0.80) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL17517558 0.71 CCNB2 (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL15668596 0.71 CCNB2 (0.55) CCNB2CDK1CCNB1CCNA2CDK2
SCHEMBL28484391 0.71 CDK2 (0.54) CCNB2CDK1CCNB1CCNA2CDK2

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 7 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
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
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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