SCHEMBL4469729

SCHEMBL4469729

CON(C(=O)c1ccc(C)c(-n2cnc(C(=O)O)c2)c1)c1cc(NC(C)=O)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.35
NR1I2 O75469 4/20 0.34
NTRK1 P04629 1/20 0.34
DDR1 Q08345 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
DDR2 Q16832 1/20 0.34
LDLR P01130 1/20 0.34
KIT P10721 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
ABL1 P00519 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
BCR P11274 1/20 0.32
LMNA P02545 1/20 0.32
P4HTM Q9NXG6 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
SCHEMBL4473800 0.86 KDM4E (0.32) NR1I2KDM4E
SCHEMBL4476625 0.84 TEK (0.34) NR1I2
SCHEMBL4478485 0.83 ABL1 (0.37) NR1I2ABL1BCR
SCHEMBL4474214 0.79 PSEN1 (0.42) LDLRKITPCSK9KDM4EKMT2A
SCHEMBL4469722 0.76 BRAF (0.42) ABL1MEN1KMT2ALMNAP4HTM
SCHEMBL4482580 0.76 KDM4E (0.34) NTRK1DDR1NTRK3NTRK2DDR2
Pivalamide SCHEMBL5177397 0.73 BRAF (0.40) ABL1
SCHEMBL4471365 0.73 BRAF (0.33) ABL1BCR
SCHEMBL5177405 0.73 BRAF (0.39) LMNA
SCHEMBL4478022 0.72 RXRA (0.37) NR1I2

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-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
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 NR2E1 1574/4885NR1I2 734/4885NTRK1 4498/4885

“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.