SCHEMBL6348692

SCHEMBL6348692

Cc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.72
POLB P06746 6/20 0.69
CXCL8 P10145 2/20 0.69
NOD2 Q9HC29 2/20 0.69
NOD1 Q9Y239 2/20 0.69
HTT P42858 2/20 0.69
RAB9A P51151 2/20 0.69
KDM4E B2RXH2 1/20 0.69
TNF P01375 1/20 0.69
MAPT P10636 1/20 0.69
G6PD P11413 1/20 0.69
PAX8 Q06710 1/20 0.69
TLR9 Q9NR96 1/20 0.69
MAPK1 P28482 1/20 0.67
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
DPP4 P27487 1/20 0.66
NPSR1 Q6W5P4 2/20 0.65
TSHR P16473 1/20 0.65
ALDH1A1 P00352 1/20 0.62

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
SCHEMBL18834052 0.88 ATM (0.72) BRAFPOLBNOD2NOD1MAPT
SCHEMBL17786243 0.88 ALDH1A1 (0.69) KDM4EMAPTMAPK1MEN1KMT2A
SCHEMBL555082 0.87 BRAF (0.72) BRAFPOLBCXCL8NOD2NOD1
SCHEMBL4667126 0.86 RECQL (0.76) BRAFPOLBCXCL8NOD2NOD1
SCHEMBL22828426 0.85 POLB (0.66) BRAFPOLBCXCL8NOD2NOD1
SCHEMBL9386107 0.81 ALDH1A1 (0.58) BRAFPOLBHTTKDM4EMAPT
SCHEMBL555020 0.80 DPP4 (1.00) POLBCXCL8NOD2NOD1HTT
SCHEMBL28749925 0.80 ALDH1A1 (0.68) BRAFKDM4EMAPTMAPK1MEN1
SCHEMBL9708366 0.80 BRAF (0.48) BRAFPOLBCXCL8NOD2NOD1
SCHEMBL17845827 0.79 RECQL (0.67) BRAFPOLBCXCL8NOD2NOD1

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-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
US-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease CELL THERAPEUTICS, INC. (US) 2005-02-10 US disclosed
US-6774130-B2 TREATING CHRONIC INFLAMMATORY DISEASE, CHRONIC INTESTINAL INFLAMMATION, ARTHRITIS, PSORIASIS, ASTHMA AND AUTOIMMUNE DISORDERS; TH1 CELL-MEDIATED DISORDERS; FOR EXAMPLE, 1,2,3,6-TETRAHYDRO-7H-PURINE-2,6-DIONE DERIVATIVES CELL THERAPEUTICS, INC. 2004-08-10 US disclosed
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CELL THERAPEUTICS, INC. 2002-03-07 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 WO disclosed
US-6075029-A Xanthine modulators of metabolism of cellular P-450 CELL THERAPEUTICS, INC. (US) 2000-06-13 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 (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-20050032748-A1 Substituted 2,5-dioxopurines, 2H-1,2,3-triazolyl[4,5-d]pyrimidines, or 1,2,5-thadiazolyl[3,4-d]pyrimidines; antiproliferative, antiinflammatory, and antiarthritic agents; psoriasis, asthma, multiple sclerosis, inflammatory bowel disease, lupus, graft versus host disease TPMT, IL2, NFATC1 BRAF 1374/4885POLB 1573/4885CXCL8 292/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 BRAF 2585/4885POLB 4651/4885CXCL8 164/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 BRAF 2646/4885POLB 4754/4885CXCL8 143/4885

“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.