SCHEMBL1553496

SCHEMBL1553496

CCNC(=O)Nc1cc(-c2ccccc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
EGFR P00533 1/20 0.58
WNT3A P56704 1/20 0.55
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
BUB1 O43683 2/20 0.53
ABL1 P00519 3/20 0.52

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
SCHEMBL1553258 0.88 PIK3CA (0.60) CNR1JAK2JAK1TYK2
SCHEMBL1552978 0.88 JAK2 (0.48) CNR1JAK2JAK1TYK2
SCHEMBL1553547 0.87 ABL1 (0.58) ABL1
SCHEMBL1552446 0.81 SYK (0.52) JAK2JAK1TYK2
SCHEMBL1553602 0.81 NPC1 (0.53) JAK2JAK1TYK2ABL1
SCHEMBL13455108 0.81 JAK2 (0.47) JAK2JAK1TYK2
SCHEMBL1553491 0.80 PIK3C3 (0.51) JAK2JAK1TYK2ABL1
SCHEMBL17872892 0.80 EGFR (0.69) CNR1EGFRWNT3A
SCHEMBL1553111 0.79 PIK3C3 (0.51)
SCHEMBL20909667 0.79 SMN1; SMN2 (0.68) JAK2JAK1TYK2

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
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 CNR1 1457/4885EGFR 2107/4885WNT3A 3411/4885

“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.