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SCHEMBL2210177

SCHEMBL2210177

CNC(=O)c1ccc(C)c(-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 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ VNN1 O95497 2/20 0.34
▸ DDR2 Q16832 5/20 0.34
▸ MAPK14 Q16539 4/20 0.33
▸ DDR1 Q08345 2/20 0.32
▸ BRAF P15056 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ XIAP P98170 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ PTGER4 P35408 2/20 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
SCHEMBL2210183 1.00 KDM4E (0.34) KDM4EHTTSMN1; SMN2VNN1DDR2
SCHEMBL2212293 0.93 MAPK14 (0.36) MAPK14XIAPBIRC2PTGER4
SCHEMBL2212289 0.93 MAPK14 (0.36) MAPK14XIAPBIRC2PTGER4
SCHEMBL2212537 0.92 VNN1 (0.33) VNN1DDR2MAPK14BRAFRAF1
SCHEMBL2212531 0.92 VNN1 (0.33) VNN1DDR2MAPK14BRAFRAF1
SCHEMBL2209546 0.90 MAPK14 (0.34) MAPK14XIAPBIRC2PTGER4
SCHEMBL2209538 0.90 MAPK14 (0.34) MAPK14XIAPBIRC2PTGER4
SCHEMBL2210810 0.89 KDM4E (0.36) KDM4EHTTSMN1; SMN2VNN1DDR2
SCHEMBL2210976 0.89 KDM4E (0.40) KDM4EHTTSMN1; SMN2VNN1DDR2
SCHEMBL2210985 0.89 KDM4E (0.40) KDM4EHTTSMN1; SMN2VNN1DDR2

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 3564/4885HTT 2507/4885SMN1; SMN2 1479/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 KDM4E 3564/4885HTT 2507/4885SMN1; SMN2 1479/4885

“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.