SCHEMBL22829

SCHEMBL22829

COc1ccc(OBOc2ccc(OC)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL19886499 0.86 AR (0.41) ARCA12CA1CA2CA7
SCHEMBL3131157 0.86 CA12 (0.44) ARCA12CA1CA2CA7
SCHEMBL29775318 0.85 CA12 (0.56) ARCA12CA1CA2CA7
SCHEMBL12422332 0.85 CA12 (0.56) ARCA12CA1CA2CA7
SCHEMBL5827713 0.84 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL3117040 0.81 RXRA (0.47) ARHTR2ALMNAMAPTATM
SCHEMBL23115 0.77 CA2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL7587408 0.76 AR (0.41) ARCA12CA1CA2CA7
SCHEMBL23218 0.76 RAB9A (0.46) CA12CA1CA2CA7CA9
SCHEMBL16884975 0.75 ALDH1A1 (0.50) ARCA2HTR2AHTR2CGAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2018-05-10 US disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2016-10-20 US disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 EP disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2609089-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2013-07-03 EP disclosed
WO-2012025638-A1 SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS Universität des Saarlandes (DE) 2012-03-01 WO disclosed
EP-1928842-B1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2009-11-18 EP disclosed
US-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-2026811-A1 PYRAZOLO [3, 4-D]PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS Novartis AG (CH) 2009-02-25 EP disclosed
EP-1928842-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2008-06-11 EP disclosed
US-7326715-B2 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2008-02-05 US disclosed
WO-2007134828-A1 PYRAZOLO [3, 4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS NOVARTIS AG (CH) 2007-11-29 WO disclosed
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
WO-2007039470-A1 4-PHENYL-6-SUBSTITUTED-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2007-04-12 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 (7 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-20090131457-A1 Pyrazolo [3,4-D] Pyrimidine Derivatives Useful to Treat Respiratory Disorders PIK3CA, JAK3, PDK1 AR 3494/4885CA12 4373/4885CA1 4400/4885
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR AR 871/4885CA12 4177/4885CA1 3134/4885
US-20070111992-A1 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives CTSK, CTSS, CTSF AR 2192/4885CA12 4195/4885CA1 2741/4885
US-20160303132-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 AR 3494/4885CA12 4373/4885CA1 4400/4885
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 AR 1041/4885CA12 3580/4885CA1 4017/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 AR 1041/4885CA12 3580/4885CA1 4017/4885
US-20180125849-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES USEFUL TO TREAT RESPIRATORY DISORDERS PIK3CA, JAK3, PDK1 AR 3494/4885CA12 4373/4885CA1 4400/4885

“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.