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SCHEMBL2210810

SCHEMBL2210810

CNC(=O)c1cccc(-c2cnc(NC(=O)[C@H](C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ VNN1 O95497 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ FYN P06241 5/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ DDR2 Q16832 1/20 0.33
▸ ADCY8 P40145 1/20 0.33
▸ ADCY1 Q08828 1/20 0.33
▸ MET P08581 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ RAF1 P04049 1/20 0.32

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
SCHEMBL2210183 0.89 KDM4E (0.34) KDM4ESMN1; SMN2HTTVNN1ABL1
SCHEMBL2210177 0.89 KDM4E (0.34) KDM4ESMN1; SMN2HTTVNN1ABL1
SCHEMBL2207246 0.89 FEN1 (0.36) FEN1KDRFYNABL1KIT
SCHEMBL2207252 0.89 FEN1 (0.36) FEN1KDRFYNABL1KIT
SCHEMBL1323082 0.88 KDM4E (0.38) KDM4ESMN1; SMN2HTTFEN1ALDH1A1
SCHEMBL1323077 0.88 KDM4E (0.38) KDM4ESMN1; SMN2HTTFEN1ALDH1A1
SCHEMBL2210985 0.87 KDM4E (0.40) KDM4ESMN1; SMN2HTTVNN1ALDH1A1
SCHEMBL2210076 0.87 SCN9A (0.36) KDM4ESMN1; SMN2FEN1ALDH1A1FYN
SCHEMBL2210976 0.87 KDM4E (0.40) KDM4ESMN1; SMN2HTTVNN1ALDH1A1
SCHEMBL2211913 0.87 SCN9A (0.36) KDM4ESMN1; SMN2FEN1ALDH1A1FYN

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.