SCHEMBL2511209

SCHEMBL2511209

Cc1nc(Cl)c(N)c(NC(C)CO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.37
CX3CR1 P49238 1/20 0.34
MAT2A P31153 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRAF P15056 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CA2 P00918 3/20 0.31
CDK1 P06493 3/20 0.31
CDK2 P24941 3/20 0.31
KDR P35968 3/20 0.31
CDK4 P11802 2/20 0.31
CDK7 P50613 2/20 0.31
CDK9 P50750 2/20 0.31
CCNT1 O60563 1/20 0.31
CCND1 P24385 1/20 0.31
CCNH P51946 1/20 0.31
KCNH3 Q9ULD8 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
SCHEMBL2509200 1.00 CXCR2 (0.37) CXCR2CX3CR1MAT2ANPSR1BRAF
SCHEMBL23547320 0.81 PDE10A (0.40)
SCHEMBL29931161 0.81 PDE10A (0.40)
SCHEMBL7486804 0.79 CTSK (0.31)
SCHEMBL7476102 0.77 CRHR1 (0.40)
SCHEMBL7474237 0.74 KCNH2 (0.40)
SCHEMBL2510236 0.73 KDM4E (0.41) CDK2
SCHEMBL12197591 0.73 CRHR1 (0.36)
SCHEMBL29861176 0.72 MAT2A (0.31) CXCR2MAT2A
SCHEMBL28767108 0.72 MAT2A (0.31) CXCR2MAT2A

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
EP-2552921-B1 PURINE COMPOUNDS LILLY CO ELI (US) 2015-10-07 EP disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
US-8759360-B2 Purine compounds ELI LILLY AND COMPANY (US) 2014-06-24 US disclosed
WO-2011123372-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY (US) 2011-10-06 WO disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 US disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 US disclosed
US-20110245255-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY 2011-10-06 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-20110245255-A1 PURINE COMPOUNDS P2RX1, P2RX3, P2RX7 CXCR2 254/4885CX3CR1 586/4885MAT2A 1672/4885

“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.