SCHEMBL8813993

SCHEMBL8813993

CCc1cnc2nc(N)nc(N)c2n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.61
DHFR P00374 1/20 0.51

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
SCHEMBL14208399 0.87 ADORA2A (0.50) NOS1
SCHEMBL26500537 0.86 NOS1 (0.62) NOS1DHFR
SCHEMBL12844585 0.84 NOS1 (0.46) NOS1
SCHEMBL14435374 0.84 NOS1 (0.55) NOS1DHFR
SCHEMBL30432658 0.84 NOS1 (0.55) NOS1DHFR
SCHEMBL20780857 0.83 NOS1 (0.67) NOS1DHFR
SCHEMBL10850465 0.83 NOS1 (0.71) NOS1DHFR
SCHEMBL15075219 0.83 NOS1 (0.45) NOS1DHFR
SCHEMBL10615664 0.83 NOS1 (0.62) NOS1DHFR
SCHEMBL10852865 0.82 NOS1 (0.82) NOS1DHFR

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230201203-A1 METHODS OF TREATMENT USING ANTIFOLATES AND PHARMACEUTICAL FORMULATIONS COMPRISING ANTIFOLATES EMPHASCIENCE, INC. 2023-06-29 US disclosed
US-20230201203-A1 METHODS OF TREATMENT USING ANTIFOLATES AND PHARMACEUTICAL FORMULATIONS COMPRISING ANTIFOLATES EMPHASCIENCE, INC. 2023-06-29 US disclosed
US-10882862-B2 Compositions, methods, and kits for quantifying methotrexate MICROMASS UK LIMITED (GB) 2021-01-05 US disclosed
US-20200216453-A1 COMPOSITIONS, METHODS, AND KITS FOR QUANTIFYING METHOTREXATE MICROMASS UK LIMITED (GB) 2020-07-09 US disclosed
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US disclosed
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION TYDOCK PHARMA S.R.L. (IT) 2010-12-02 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-20080207652-A1 Novel inhibitors of folic acid-dependent enzymes STOICESCU DAN 2008-08-28 US disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 US disclosed
WO-1997021711-A1 PROCESS FOR PREPARING 4-AMINOPTERIDINE DERIVATIVES LONZA AG (CH) 1997-06-19 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 (12 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-10882862-B2 Compositions, methods, and kits for quantifying methotrexate MTX1, MTX2, MTHFD2 NOS1 4211/4885DHFR 4/4885
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI NOS1 3043/4885DHFR 1022/4885
US-20100305134-A1 SPECIFIC INHIBITORS OF PTERIDINE REDUCTASE WITH ANTIPARASITIC ACTION QDPR, DHFR, DDC NOS1 1167/4885DHFR 2/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 NOS1 3800/4885DHFR 405/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 NOS1 3584/4885DHFR 487/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A NOS1 4318/4885DHFR 2599/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 NOS1 1249/4885DHFR 1951/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 NOS1 1249/4885DHFR 1951/4885
US-20080207652-A1 Novel inhibitors of folic acid-dependent enzymes FOLR2, FOLR1, DHFR NOS1 1451/4885DHFR 3/4885
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 NOS1 4480/4885DHFR 703/4885
US-20200216453-A1 COMPOSITIONS, METHODS, AND KITS FOR QUANTIFYING METHOTREXATE MTX1, MTX2, MTHFD1 NOS1 2690/4885DHFR 8/4885
US-20230201203-A1 METHODS OF TREATMENT USING ANTIFOLATES AND PHARMACEUTICAL FORMULATIONS COMPRISING ANTIFOLATES DHFR, MTHFD1, OAT NOS1 2505/4885DHFR 1/4885

“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.