SCHEMBL2210976

SCHEMBL2210976

CNC(=O)c1cccc(-c2cnc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.37
VNN1 O95497 3/20 0.33
CCR1 P32246 2/20 0.33
PPARG P37231 6/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NTRK1 P04629 1/20 0.31
ABL1 P00519 1/20 0.31
KIT P10721 1/20 0.31
BCR P11274 1/20 0.31
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31
TACR1 P25103 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2210985 1.00 KDM4E (0.40) KDM4ESMN1; SMN2HTTALDH1A1VNN1
SCHEMBL2209371 0.93 PPARG (0.32) KDM4ESMN1; SMN2HTTPPARG
SCHEMBL2213954 0.93 PPARG (0.32) KDM4ESMN1; SMN2HTTPPARG
SCHEMBL12060240 0.92 ALDH1A1 (0.36) KDM4ESMN1; SMN2HTTALDH1A1VNN1
SCHEMBL2211891 0.91 PPARG (0.35) PPARG
SCHEMBL2211901 0.91 PPARG (0.35) PPARG
SCHEMBL1322985 0.89 KDM4E (0.41) KDM4ESMN1; SMN2HTTALDH1A1CCR1
SCHEMBL1322988 0.89 KDM4E (0.41) KDM4ESMN1; SMN2HTTALDH1A1CCR1
SCHEMBL2210177 0.89 KDM4E (0.34) KDM4ESMN1; SMN2HTTVNN1ABL1
SCHEMBL2210183 0.89 KDM4E (0.34) KDM4ESMN1; SMN2HTTVNN1ABL1

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-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US claimed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 KDM4E 3564/4885SMN1; SMN2 1479/4885HTT 2507/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 KDM4E 3564/4885SMN1; SMN2 1479/4885HTT 2507/4885

“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.