SCHEMBL2394030

SCHEMBL2394030

COC(=O)CN[C@H]1CC[C@H](CN(C)c2ccc(I)cc2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
RAF1 P04049 1/20 0.31
PDGFRB P09619 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAP2K2 P36507 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
AURKC Q9UQB9 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
MELK Q14680 1/20 0.30
APOL1 O14791 1/20 0.30
LTC4S Q16873 1/20 0.30

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
SCHEMBL15342777 1.00 MAP2K1 (0.32) MAP2K1MEN1KMT2ATDP1GAA
SCHEMBL2394031 1.00 MAP2K1 (0.32) MAP2K1MEN1KMT2ATDP1GAA
SCHEMBL27877174 0.84 MAP2K1 (0.32) MAP2K1MEN1KMT2ATDP1GAA
SCHEMBL27877172 0.84 MAP2K1 (0.32) MAP2K1MEN1KMT2ATDP1GAA
SCHEMBL2393190 0.82 MDM2 (0.34) MEN1KMT2ALTC4S
SCHEMBL2393193 0.82 MDM2 (0.34) MEN1KMT2ALTC4S
SCHEMBL2388275 0.79 DRD2 (0.42) KMT2A
SCHEMBL15342780 0.79 DRD2 (0.42) KMT2A
SCHEMBL2388273 0.79 DRD2 (0.42) KMT2A
SCHEMBL2392518 0.77 CACNA1H (0.36) MELK

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 9 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-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 MAP2K1 2572/4885MEN1 385/4885KMT2A 1137/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 MAP2K1 2572/4885MEN1 385/4885KMT2A 1137/4885

“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.