SCHEMBL6645602

SCHEMBL6645602

CCOC(=O)COc1cccnc1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.48
CXCR2 P25025 1/20 0.48
NPC1 O15118 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
ABCB1 P08183 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
PTPN1 P18031 1/20 0.41
S1PR4 O95977 1/20 0.41
ITGA4 P13612 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL5655399 0.82 HCRTR1 (0.43) NPC1LMNAPOLBRAB9AGAA
SCHEMBL29604747 0.81 BRD4 (0.55) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL1514835 0.81 BRD4 (0.55) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL29852549 0.81 ABCB1 (0.50) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL4718408 0.80 USP2 (0.49) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL18301087 0.80 USP2 (0.51) CXCR1CXCR2NPC1LMNAUSP2
SCHEMBL23331253 0.77 USP2 (0.54) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL5658061 0.75 RAB9A (0.49) NPC1LMNAPOLBKDM4ERAB9A
SCHEMBL1969238 0.74 USP2 (0.51) NPC1LMNAUSP2KDM4ERAB9A
SCHEMBL30454309 0.74 USP2 (0.51) NPC1LMNAUSP2KDM4ERAB9A

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-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 CXCR1 626/4885CXCR2 425/4885NPC1 930/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CXCR1 626/4885CXCR2 425/4885NPC1 930/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 CXCR1 626/4885CXCR2 425/4885NPC1 930/4885

“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.