SCHEMBL2945856

SCHEMBL2945856

COC(=O)COc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.45
HMGCR P04035 1/20 0.44
RAB9A P51151 1/20 0.44
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL5108537 0.85 ALDH1A1 (0.57) ALDH1A1MAPTLMNAPKMPOLB
SCHEMBL5007334 0.84 PKM (0.69) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL4628485 0.84 ALDH1A1 (0.56) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL29536561 0.84 LMNA (0.58) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL13239750 0.84 LMNA (0.58) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL5107176 0.83 HPGD (0.56) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL25337583 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL4861601 0.83 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL16149066 0.83 PKM (0.59) ALDH1A1MAPTLMNAPKMSMN1; SMN2
SCHEMBL11274293 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7449581-B2 6-Substituted pyrido-pyrimidines POCHE PALO ALTO LLC (US) 2008-11-11 US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 US disclosed
EP-1361880-B1 6-SUBSTITUTED PYRIDO-PYRIMIDINES HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005047284-A1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 WO disclosed
US-20050107408-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2005-05-19 US disclosed
US-20040116698-A1 6-Substituted pyrido-pyrimidines CHEN JIAN JEFFREY (US) 2004-06-17 US disclosed
US-6696566-B2 SELECTIVE P38 KINASE INHIBITORS RELATIVE TO CYCLIN-DEPENDENT KINASES AND TYROSINE KINASES SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
EP-1361880-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-19 EP disclosed
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. SYNTEX (U.S.A.) LLC 2003-09-11 US disclosed
WO-2002064594-A2 6-SUBSTITUTED PYRIDO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-22 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 ALDH1A1 2715/4885MAPT 2924/4885LMNA 2516/4885
US-20050107408-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones MAPK1, MAPK7, MAPK6 ALDH1A1 172/4885MAPT 3429/4885LMNA 2599/4885
US-20030171584-A1 Treating p38 mediated disorders such as arthritis, Crohns disease, irritable bowel syndrome adult respiratory distress syndrome or chronic obstructive pulmonary disease. ARRB1, MAPK1, MAPK8 ALDH1A1 1614/4885MAPT 3984/4885LMNA 4583/4885

“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.