SCHEMBL3857445

SCHEMBL3857445

COc1ccc2c3ccnc(C)c3n(CCCCCn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 4/20 0.86
DYRK1A Q13627 17/20 0.86
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76

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
SCHEMBL17517505 1.00 HASPIN (0.86) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17502361 1.00 HASPIN (0.86) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17502363 1.00 HASPIN (0.86) HASPINDYRK1AHTR2AHTR2C
SCHEMBL13875060 0.99 HASPIN (0.88) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17517503 0.96 DYRK1A (0.88) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17102931 0.95 DYRK1A (0.91) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17102919 0.95 DYRK1A (0.91) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17102936 0.95 DYRK1A (0.91) HASPINDYRK1AHTR2AHTR2C
SCHEMBL17102957 0.94 DYRK1A (0.93) HASPINDYRK1AHTR2AHTR2C
SCHEMBL20340616 0.93 DYRK1A (0.88) HASPINDYRK1AHTR2AHTR2C

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 10 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-9433592-B2 Pharmaceutical or veterinary antiviral compositions UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2016-09-06 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-20130012502-A1 Pharmaceutical or Veterinary Antiviral Compositions HOSPICES CIVILS DE LYON (FR) 2013-01-10 US disclosed
WO-2011069990-A1 PHARMACEUTICAL OR VETERINARY ANTIVIRAL COMPOSITIONS UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2011-06-16 WO disclosed
EP-2050747-A1 Dimers of harmol or of its derivatives and uses thereof BioAlliance Pharma (FR) 2009-04-22 EP disclosed
WO-2009047298-A2 DIMERS OF HARMOL OR OF ITS DERIVATIVES AND USES THEREOF BIOALLIANCE PHARMA (FR) 2009-04-16 WO disclosed
WO-2009047298-A2 DIMERS OF HARMOL OR OF ITS DERIVATIVES AND USES THEREOF BIOALLIANCE PHARMA (FR) 2009-04-16 WO 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 (3 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 HASPIN 872/4885DYRK1A 2258/4885HTR2A 3190/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK HASPIN 933/4885DYRK1A 2229/4885HTR2A 3333/4885
US-20130012502-A1 Pharmaceutical or Veterinary Antiviral Compositions PIGS, ZC3HAV1, PRNP HASPIN 2105/4885DYRK1A 4754/4885HTR2A 3725/4885

“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.