SCHEMBL3596786

SCHEMBL3596786

CCOc1cc(C(=O)Cl)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
TSHR P16473 2/20 0.64
TP53 P04637 1/20 0.61
PDE4A P27815 8/20 0.59
PDE4B Q07343 8/20 0.59
PDE4C Q08493 8/20 0.59
PDE4D Q08499 8/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL6423567 0.93 TSHR (0.73) MAPK1TSHRTP53PDE4APDE4B
SCHEMBL184107 0.91 TSHR (0.60) MAPK1TSHRTP53L3MBTL1HPGD
SCHEMBL7340408 0.87 PDE4B (0.57) MAPK1TSHRTP53PDE4APDE4B
SCHEMBL7356773 0.86 MAPK1 (0.51) MAPK1TSHRTP53PDE4APDE4B
SCHEMBL4826029 0.86 TSHR (0.72) MAPK1TSHRTP53PDE4APDE4B
SCHEMBL7332411 0.86 SMPD1 (0.63) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL184025 0.86 TSHR (0.70) MAPK1TSHRHPGDCYP1A2CYP3A4
SCHEMBL29521706 0.86 TSHR (0.70) MAPK1TSHRHPGDCYP1A2CYP3A4
SCHEMBL4280677 0.85 MAPK1 (0.90) MAPK1TSHRTP53PDE4APDE4B
SCHEMBL5076592 0.85 TSHR (0.76) MAPK1TSHRTP53PDE4APDE4B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
CN-110577475-A Ambroxol derivative, and preparation method, pharmaceutical composition and application thereof 北京华睿鼎信科技有限公司 2019-12-17 CN disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
EP-2004654-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2013-05-22 EP disclosed
EP-2551270-A2 PYRAZOLOPYRMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS The Regents of The University of California (US) 2013-01-30 EP disclosed
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 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 (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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA MAPK1 294/4885TSHR 1986/4885TP53 2974/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 MAPK1 248/4885TSHR 1811/4885TP53 1432/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 MAPK1 248/4885TSHR 1811/4885TP53 1432/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 MAPK1 248/4885TSHR 1811/4885TP53 1432/4885

“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.