SCHEMBL3852955

SCHEMBL3852955

Cc1cccc(CSc2nc(N[C@H](C)CO)c3ncc(=O)[nH]c3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 18/20 0.68
CX3CR1 P49238 2/20 0.52
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CCR7 P32248 1/20 0.43
HTR1B P28222 1/20 0.43

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
SCHEMBL3860218 0.90 CXCR2 (0.67) CXCR2CX3CR1HTR1B
SCHEMBL3850381 0.85 CXCR2 (0.67) CXCR2CX3CR1CCR7HTR1B
SCHEMBL6352542 0.84 CXCR2 (0.53) CXCR2CX3CR1MAPK1CCR7
SCHEMBL7602817 0.84 CXCR2 (0.53) CXCR2CX3CR1MAPK1CCR7
SCHEMBL3859071 0.84 CXCR2 (0.73) CXCR2CX3CR1CCR7HTR1B
SCHEMBL3859054 0.82 CXCR2 (0.85) CXCR2CX3CR1CCR7HTR1B
SCHEMBL3849366 0.81 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3849356 0.81 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3850612 0.81 CXCR2 (1.00) CXCR2CCR7
SCHEMBL3857645 0.80 CXCR2 (0.66) CXCR2CX3CR1CCR7HTR1B

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-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US claimed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP claimed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 US claimed
US-7579342-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA (SE) 2009-08-25 US disclosed
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
US-6875868-B2 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2005-04-05 US disclosed
EP-1259512-B1 PTERIDINE COMPOUNDS FOR THE TREATMENT OF PSORIASIS ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
US-20030055250-A1 Pteridine compounds for the treatment of psoriasis ASTRAZENECA AB (SE) 2003-03-20 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 (2 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-20030055250-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CX3CR1 1991/4885MAPK1 2143/4885
US-20050171345-A1 Pteridine compounds for the treatment of psoriasis DHFR, NAMPT, HPRT1 CXCR2 1307/4885CX3CR1 1991/4885MAPK1 2143/4885

“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.