SCHEMBL2211768

SCHEMBL2211768

CNC(C)C(=O)Nc1cnc(-c2cc(C(=O)N(C)C)ccc2C)n(Cc2cc(C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.34
ELANE P08246 6/20 0.33
GPBAR1 Q8TDU6 6/20 0.32
TACR1 P25103 1/20 0.32
CCR2 P41597 1/20 0.32
P2RX3 P56373 1/20 0.32
BRAF P15056 3/20 0.32
RAF1 P04049 2/20 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
SCHEMBL2206917 1.00 VNN1 (0.34) VNN1ELANEGPBAR1TACR1CCR2
SCHEMBL14174391 0.93 VNN1 (0.33) VNN1ELANEGPBAR1BRAFRAF1
SCHEMBL2210261 0.92 KDM4E (0.35) VNN1ELANEP2RX3BRAF
SCHEMBL2210254 0.92 KDM4E (0.35) VNN1ELANEP2RX3BRAF
SCHEMBL12060218 0.89 ALDH1A1 (0.37) VNN1ELANEP2RX3
SCHEMBL2212531 0.87 VNN1 (0.33) VNN1GPBAR1BRAFRAF1
SCHEMBL2212537 0.87 VNN1 (0.33) VNN1GPBAR1BRAFRAF1
SCHEMBL2206914 0.85 VNN1 (0.34) VNN1ELANEGPBAR1
SCHEMBL2209792 0.84 MAPK14 (0.36) ELANEP2RX3
SCHEMBL2209797 0.84 MAPK14 (0.36) ELANEP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 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-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 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 VNN1 4396/4885ELANE 592/4885GPBAR1 601/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 VNN1 4396/4885ELANE 592/4885GPBAR1 601/4885

“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.