SCHEMBL7044320

SCHEMBL7044320

Cc1nc(C2(C)N=CC=N2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.39
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GSK3B P49841 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
SCHEMBL7046836 0.80 MAPT (0.51) MAPTCYP1A2CYP3A4KMT2ANPC1
SCHEMBL7048646 0.73 LMNA (0.55) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL7044323 0.71 MAPT (0.61) MAPTCYP1A2CYP3A4ABCG2KMT2A
SCHEMBL7043415 0.70 MAPK1 (0.44) MAPTCYP1A2CYP3A4KMT2ANPC1
SCHEMBL7035893 0.69 KMT2A (0.43) MAPTCYP1A2CYP3A4ABCG2KMT2A
SCHEMBL6701927 0.69 MAPT (0.59) MAPTCYP1A2CYP3A4ABCG2KMT2A
SCHEMBL7044714 0.68 MAPT (0.44) MAPTCYP1A2CYP3A4KMT2ANPC1
SCHEMBL7045765 0.66 LMNA (0.38) MAPTCYP1A2CYP3A4KMT2AMAPK1
SCHEMBL6695454 0.64 NPC1 (0.77) MAPTCYP1A2CYP3A4KMT2ANPC1
SCHEMBL3064665 0.64 MAPT (0.51) MAPTCYP1A2CYP3A4KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2656/4885CYP1A2 3150/4885CYP3A4 2148/4885

“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.