SCHEMBL6350010

SCHEMBL6350010

CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
KDM4E B2RXH2 5/20 1.00
KMT2A Q03164 5/20 1.00
HPGD P15428 5/20 1.00
MEN1 O00255 4/20 1.00
MAPT P10636 4/20 0.72
NPSR1 Q6W5P4 1/20 0.72
USP2 O75604 2/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 1/20 0.62
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
ATM Q13315 1/20 0.54
CYP3A4 P08684 1/20 0.50
DAO P14920 1/20 0.49
PNP P00491 1/20 0.48

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
SCHEMBL9300858 0.82 KDM4E (0.72) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL9303416 0.80 KDM4E (0.72) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL1945491 0.80 KDM4E (0.66) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL6093649 0.78 KDM4E (0.80) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL6348563 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL14205210 0.75 KDM4E (0.68) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL1946617 0.75 HPGD (0.59) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL22111515 0.74 KDM4E (0.78) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL5416955 0.74 KDM4E (0.58) ALDH1A1KDM4EKMT2AHPGDMEN1
SCHEMBL7673685 0.72 MEN1 (0.56) ALDH1A1KDM4EKMT2AHPGDMEN1

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-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

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 ALDH1A1 799/4885KDM4E 3980/4885KMT2A 3473/4885
US-20020028823-A1 THERAPEUTIC COMPOUNDS FOR INHIBITING INTERLEUKIN-12 SIGNALING AND METHODS FOR USING SAME CCR10, IL1RN, CCR1 ALDH1A1 919/4885KDM4E 4479/4885KMT2A 4716/4885
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 ALDH1A1 1906/4885KDM4E 4301/4885KMT2A 3982/4885

“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.