SCHEMBL7048646

SCHEMBL7048646

Cc1nc(C2(C)N=CC=N2)nc(NCCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 1/20 0.47
MAPT P10636 6/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 5/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 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
SCHEMBL7043665 0.80 LMNA (0.50) LMNATP53KMT2AMAPTNPC1
SCHEMBL7029927 0.80 KMT2A (0.66) LMNATP53KMT2AMAPTNPC1
SCHEMBL7048650 0.73 LMNA (0.54) LMNATP53KMT2AMAPTNPC1
SCHEMBL7044320 0.73 MAPT (0.62) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL7042023 0.72 KMT2A (0.46) LMNATP53KMT2AMAPTNPC1
SCHEMBL7045765 0.68 LMNA (0.38) LMNATP53KMT2AMAPTALDH1A1
SCHEMBL7043673 0.65 LMNA (0.50) LMNATP53KMT2AMAPTNPC1
SCHEMBL31269093 0.65 CA1 (0.61) LMNATP53KMT2AMAPTNPC1
SCHEMBL22860747 0.65 CCNC (0.60) LMNATP53KMT2AMAPTNPC1
SCHEMBL28068214 0.65 MAPT (0.62) LMNATP53KMT2AMAPTNPC1

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 4154/4885TP53 1514/4885KMT2A 2560/4885

“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.