SCHEMBL7048583

SCHEMBL7048583

Cc1nc(N2CCOC[C@@H]2C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 3/20 0.46
MTOR P42345 8/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATR Q13535 1/20 0.38

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
SCHEMBL7045657 0.85 NPSR1 (0.48) NPSR1MAPK1MAPTMTORALDH1A1
SCHEMBL7046842 0.80 MAPK1 (0.48) NPSR1MAPK1MAPTMTORALDH1A1
SCHEMBL3399374 0.79 MTOR (0.44) NPSR1MAPK1MAPTMTORALDH1A1
SCHEMBL3399370 0.79 MTOR (0.44) NPSR1MAPK1MAPTMTORALDH1A1
SCHEMBL7458020 0.77 MTOR (0.50) NPSR1MAPK1MAPTMTORCYP1A2
SCHEMBL28655466 0.73 CUL4A (0.51) NPSR1MAPK1MTORATR
SCHEMBL28648550 0.73 CUL4A (0.51) NPSR1MAPK1MTORATR
SCHEMBL30623433 0.73 CUL4A (0.51) NPSR1MAPK1MTORATR
SCHEMBL30623361 0.73 CUL4A (0.51) NPSR1MAPK1MTORATR
SCHEMBL28648545 0.73 CUL4A (0.51) NPSR1MAPK1MTORATR

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
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
US-6599911-B2 Particularly useful in treating and suppressing human Cytomegalovirus TULARIK INC. 2003-07-29 US disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
US-20030045715-A1 Arylsulfonic acid salts of pyrimidine-based antiviral agents TULARIK INC. (US) 2003-03-06 US disclosed
EP-1248783-A1 ARYLSULFONIC ACID SALTS OF PYRIMIDINE-BASED ANTIVIRAL AGENTS Tularik Inc. (US) 2002-10-16 EP disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO disclosed
US-6410726-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2002-06-25 US disclosed
US-20020065279-A1 Useful in treating and suppressing human Cytomegalovirus AMGEN INC. 2002-05-30 US disclosed
WO-2001051485-A1 ARYLSULFONIC ACID SALTS OF PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2001-07-19 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-20020065279-A1 Useful in treating and suppressing human Cytomegalovirus TPMT, MGMT, NSUN2 NPSR1 3104/4885MAPK1 1636/4885MAPT 3595/4885
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 NPSR1 4258/4885MAPK1 3896/4885MAPT 2656/4885
US-20030045715-A1 Arylsulfonic acid salts of pyrimidine-based antiviral agents PNP, TPMT, NSUN2 NPSR1 1540/4885MAPK1 631/4885MAPT 3175/4885

“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.