SCHEMBL7044715

SCHEMBL7044715

CCCC(Cc1ccccc1)Nc1nc(C)c([N+](=O)[O-])c(C2(C)N=CC=N2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
CDK1 P06493 2/20 0.33
TP53 P04637 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
DCTPP1 Q9H773 1/20 0.32
MAPT P10636 5/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CDK5 Q00535 1/20 0.32
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7046808 0.81 ATM (0.34) LMNAMAPTMEN1KMT2AMAPK1
SCHEMBL7043665 0.78 LMNA (0.50) LMNATP53SMN1; SMN2MAPTKMT2A
SCHEMBL6696470 0.75 MAPT (0.38) LMNACDK1TP53SIGMAR1SMN1; SMN2
SCHEMBL7045765 0.72 LMNA (0.38) LMNATP53SMN1; SMN2DCTPP1MAPT
SCHEMBL6713034 0.68 SMN1; SMN2 (0.48) LMNATP53SIGMAR1SMN1; SMN2MAPT
SCHEMBL7046836 0.67 MAPT (0.51) MAPTMEN1KMT2AMAPK1NPC1
SCHEMBL7101567 0.66 KMT2A (0.41) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7045358 0.66 PPIA (0.41) SMN1; SMN2MAPTMAPK1HPGDNPC1
SCHEMBL7041986 0.66 KMT2A (0.43) LMNASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7047410 0.65 VCP (0.35) SMN1; SMN2MAPTMEN1KMT2AHTT

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 4154/4885CDK1 379/4885TP53 1514/4885

“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.