SCHEMBL6029070

SCHEMBL6029070

COc1ccc(-c2cnc(OCC(=O)NCC3CCCNC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 1/20 0.47
HPGD P15428 1/20 0.43
ACHE P22303 3/20 0.43
FAAH O00519 2/20 0.43
NPC1 O15118 1/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EP300 Q09472 1/20 0.41
PBK Q96KB5 1/20 0.41
CHEK2 O96017 1/20 0.41
MET P08581 1/20 0.41
CHEK1 O14757 2/20 0.40
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7831160 0.94 EP300 (0.46) JAK2JAK1JAK3HPGDACHE
SCHEMBL6029198 0.88 HPGD (0.48) HPGDSUV39H2KMT2AACP1
SCHEMBL6028952 0.85 JAK2 (0.46) JAK2JAK1JAK3EP300PBK
SCHEMBL6030368 0.85 JAK2 (0.45) JAK2JAK1JAK3RAB9ARXFP1
SCHEMBL8180795 0.78 EP300 (0.45) JAK2JAK1JAK3RAB9AEP300
SCHEMBL7849609 0.78 EP300 (0.45) JAK2JAK1JAK3RAB9AEP300
SCHEMBL8178127 0.74 GPR119 (0.49) ACHEFAAHALDH1A1LMNA
SCHEMBL6030077 0.74 MEN1 (0.52) HPGDSUV39H2KMT2AACP1
SCHEMBL6029145 0.73 L3MBTL1 (0.50) ACHEFAAHPOLBCHEK2ALDH1A1
SCHEMBL6029151 0.73 CHEK1 (0.39) JAK2JAK1JAK3CHEK1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 WO 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 JAK2 738/4885JAK1 2756/4885JAK3 820/4885

“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.