SCHEMBL2390370

SCHEMBL2390370

COC(=O)c1ccc(/N=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.76
CA1 P00915 7/20 0.76
PTGS2 P35354 2/20 0.67
PTGS1 P23219 1/20 0.67
ALDH1A1 P00352 4/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
MAPT P10636 3/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.48
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL11438763 1.00 CA2 (0.76) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11438760 1.00 CA2 (0.76) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL13934092 0.92 CA2 (0.88) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11406103 0.87 CA1 (0.65) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11409622 0.87 CA1 (0.67) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11409620 0.87 CA1 (0.67) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11406100 0.87 CA1 (0.65) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL11414970 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL8930190 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1ALDH1A1
SCHEMBL13038180 0.86 CA2 (0.78) CA2CA1PTGS2PTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (2 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 CA2 4221/4885CA1 3822/4885PTGS2 4159/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CA2 4221/4885CA1 3822/4885PTGS2 4159/4885

“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.