SCHEMBL12299569

SCHEMBL12299569

CCc1cccc(Cn2ccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.71
CYP11B2 P19099 11/20 0.71
ADRA2C P18825 1/20 0.67
CYP19A1 P11511 5/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
TBXAS1 P24557 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64

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
SCHEMBL394308 0.91 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL10975737 0.85 CYP19A1 (0.74) CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL3092795 0.83 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12205 0.83 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL24733003 0.83 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL13153034 0.83 CYP11B1 (0.66) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12245400 0.83 CYP11B1 (0.66) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL306338 0.82 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL14647046 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL11488635 0.80 CYP11B1 (0.67) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2

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-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 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 (4 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 CYP11B1 997/4885CYP11B2 754/4885ADRA2C 4215/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CYP11B1 396/4885CYP11B2 532/4885ADRA2C 3593/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 CYP11B1 997/4885CYP11B2 754/4885ADRA2C 4215/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 CYP11B1 1164/4885CYP11B2 417/4885ADRA2C 324/4885

“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.