SCHEMBL4482580

SCHEMBL4482580

Cc1ccc(C(=O)N(C)c2cncc(C(C)(C)C)c2)cc1-n1cnc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
RIPK2 O43353 1/20 0.34
BRAF P15056 5/20 0.34
NR1H4 Q96RI1 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
DDR1 Q08345 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
DDR2 Q16832 1/20 0.33
TEK Q02763 1/20 0.31
P4HTM Q9NXG6 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
SCHEMBL4473159 0.83 BRAF (0.44) BRAF
SCHEMBL4484461 0.81 BRAF (0.40) BRAFGPBAR1ABL1
SCHEMBL4479657 0.76 KDM4E (0.36) KDM4ETEK
SCHEMBL4473800 0.76 KDM4E (0.32) KDM4E
SCHEMBL4477906 0.76 KDM4E (0.36) KDM4ETEK
SCHEMBL4469729 0.76 NR2E1 (0.35) KDM4EABL1NTRK1DDR1NTRK3
SCHEMBL4482574 0.74 ABL1 (0.39) KDM4ENR1H4ABL1TEKP4HTM
SCHEMBL4474214 0.72 PSEN1 (0.42) KDM4E
SCHEMBL4466806 0.72 BRAF (0.41) BRAF
SCHEMBL4469722 0.69 BRAF (0.42) BRAFNR1H4ABL1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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 (1 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 KDM4E 4443/4885RIPK2 1539/4885BRAF 4079/4885

“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.