SCHEMBL2206764

SCHEMBL2206764

CNC(=O)c1cccc(-c2ncc(NC(=O)C(C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(N3CCOCC3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.37
BRAF P15056 10/20 0.37
ALDH1A1 P00352 1/20 0.37
WNT3A P56704 1/20 0.36
NAMPT P43490 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
PIK3CA P42336 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRK1 P41145 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
SCN9A Q15858 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL2206755 1.00 RAF1 (0.37) RAF1BRAFALDH1A1WNT3ANAMPT
SCHEMBL2209907 0.94 SCN9A (0.36) ALDH1A1NAMPTSCN9A
SCHEMBL2209899 0.94 SCN9A (0.36) ALDH1A1NAMPTSCN9A
SCHEMBL2210794 0.90 ALDH1A1 (0.43) RAF1BRAFALDH1A1PIK3CACYP3A4
SCHEMBL2210800 0.90 ALDH1A1 (0.43) RAF1BRAFALDH1A1PIK3CACYP3A4
SCHEMBL12122010 0.89 ELANE (0.36) RAF1BRAFALDH1A1WNT3AKDM1A
SCHEMBL1323097 0.89 ELANE (0.36) RAF1BRAFALDH1A1WNT3AKDM1A
SCHEMBL1323099 0.89 ELANE (0.36) RAF1BRAFALDH1A1WNT3AKDM1A
SCHEMBL2210384 0.87 NTRK1 (0.38) RAF1BRAFWNT3AKDM1AHDAC1
SCHEMBL2210390 0.87 NTRK1 (0.38) RAF1BRAFWNT3AKDM1AHDAC1

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-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
EP-2099769-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2009-09-16 EP claimed
WO-2008073305-A1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-06-19 WO 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
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

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 RAF1 1755/4885BRAF 1504/4885ALDH1A1 3484/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 RAF1 1755/4885BRAF 1504/4885ALDH1A1 3484/4885

“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.