SCHEMBL7045765

SCHEMBL7045765

Cc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(C2(C)N=CC=N2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
POLB P06746 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPIA P62937 1/20 0.34

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
SCHEMBL7045358 0.83 PPIA (0.41) MAPTSMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL7046836 0.81 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1CYP1A2
SCHEMBL7043665 0.76 LMNA (0.50) LMNAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL7045767 0.73 MAPT (0.37) LMNAMAPTSMN1; SMN2MAPK1TDP1
SCHEMBL7044715 0.72 LMNA (0.33) LMNAMAPTSMN1; SMN2MAPK1TDP1
SCHEMBL7043415 0.71 MAPK1 (0.44) MAPTMAPK1TDP1L3MBTL1CYP1A2
SCHEMBL6701919 0.71 MAPT (0.43) LMNAMAPTSMN1; SMN2MAPK1TDP1
SCHEMBL6695254 0.69 LMNA (0.55) LMNAMAPTMAPK1CYP1A2CYP2C9
SCHEMBL7035893 0.68 KMT2A (0.43) MAPTMAPK1TDP1L3MBTL1CYP1A2
SCHEMBL7048646 0.68 LMNA (0.55) LMNAMAPTSMN1; SMN2TP53ALDH1A1

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 3 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 US disclosed
WO-2002064096-A2 METHODS OF USING PYRIMIDINE-BASED ANTIVIRAL AGENTS TULARIK INC. (US) 2002-08-22 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 (1 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 2656/4885SMN1; SMN2 2956/4885

“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.