SCHEMBL6695254

SCHEMBL6695254

Cc1nc(N(C)Cc2ccccc2)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 6/20 0.55
POLB P06746 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HTT P42858 1/20 0.41
SLC26A6 Q9BXS9 1/20 0.40
HPGD P15428 1/20 0.39
PDE5A O76074 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7048647 0.79 LMNA (0.47) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL7043666 0.79 MAPT (0.47) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL6696084 0.78 LMNA (0.49) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL6697673 0.78 MAPT (0.47) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL27539835 0.77 LMNA (0.46) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL27560628 0.77 LMNA (0.45) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL27542481 0.76 LMNA (0.46) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL12459324 0.71 LMNA (0.73) LMNAMAPTPOLBCYP1A2CYP3A4
SCHEMBL15730455 0.70 LMNA (0.57) LMNAMAPTPOLBCYP1A2CYP2C9
SCHEMBL7042024 0.70 MAPT (0.46) LMNAMAPTPOLBCYP1A2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835726-B2 Pyrimidine derivatives AMGEN INC. 2004-12-28 US disclosed
US-20040006068-A1 Pyrimidine derivatives TULARIK INC. 2004-01-08 US disclosed
WO-2002064096-A9 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC (US) 2003-10-16 WO disclosed
EP-1056742-B1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC (US) 2003-07-23 EP disclosed
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
US-6528513-B2 Viricides; especially cytomegalo virus TULARIK INC 2003-03-04 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 WO disclosed
US-20010018436-A1 Pyrimidine derivatives TULARIK INC. 2001-08-30 US disclosed
US-6200977-B1 USEFUL IN TREATING AND SUPPRESSING HUMAN CYTOMEGALOVIRUS TULARIK INC. 2001-03-13 US disclosed
EP-1056742-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK, INC. (US) 2000-12-06 EP disclosed
WO-1999041253-A1 ANTI-VIRAL PYRIMIDINE DERIVATIVES TULARIK INC. (US) 1999-08-19 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 LMNA 4154/4885MAPT 2656/4885POLB 158/4885
US-20010018436-A1 Pyrimidine derivatives TYMP, TYMS, UMPS LMNA 4485/4885MAPT 1762/4885POLB 66/4885
US-20040006068-A1 Pyrimidine derivatives TYMP, TYMS, UMPS LMNA 4485/4885MAPT 1762/4885POLB 66/4885

“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.