SCHEMBL4606149

SCHEMBL4606149

COC(=O)c1cc(N)cc(-c2nnnn2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CNR2 P34972 2/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL583983 0.87 NPC1 (0.47) ATAD2SMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL4604677 0.86 SMN1; SMN2 (0.41) ATAD2SMN1; SMN2NPC1ALDH1A1ABCC9
SCHEMBL4603388 0.85 SMN1; SMN2 (0.47) ATAD2SMN1; SMN2ALDH1A1ABCC9ABCC8
SCHEMBL4604673 0.80 MEN1 (0.45) SMN1; SMN2NPC1MAPTALDH1A1KMT2A
SCHEMBL8410461 0.77 ATAD2 (0.60) ATAD2NPC1MAPTRAB9AALDH1A1
SCHEMBL584093 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL5345851 0.73 SMN1; SMN2 (0.50) SMN1; SMN2CCR3
SCHEMBL583651 0.72 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL27086299 0.72 ATAD2 (0.45) ATAD2SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL29920221 0.72 ATAD2 (0.45) ATAD2SMN1; SMN2NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity DUNCIA JOHN V 2006-03-30 US disclosed
US-6992091-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-31 US disclosed
EP-1545524-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US disclosed
WO-2004024682-A2 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY. BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-25 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 (3 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 ATAD2 3930/4885SMN1; SMN2 4305/4885NPC1 848/4885
US-20060069128-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 ATAD2 2598/4885SMN1; SMN2 4237/4885NPC1 762/4885
US-20040082616-A1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity ACKR3, CCL11, CCR2 ATAD2 2598/4885SMN1; SMN2 4237/4885NPC1 762/4885

“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.