SCHEMBL4484640

SCHEMBL4484640

Nc1nc(NCc2cccc(N3CCCC3)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP4K4 O95819 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4483008 0.99 LMNA (0.45) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL4491859 0.99 LMNA (0.45) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL4468391 0.85 MAPT (0.46) LMNAMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL4478175 0.85 MAPT (0.51) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4490590 0.85 PRKCQ (0.49) LMNAMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL4490167 0.85 KMT2A (0.53) LMNAMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL4475566 0.84 MAPT (0.60) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4476078 0.83 LMNA (0.46) LMNAMAPTKMT2ASMN1; SMN2TDP1
SCHEMBL4485111 0.82 MAPT (0.44) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4472700 0.82 LMNA (0.46) LMNAALDH1A1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US 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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH LMNA 2186/4885ALDH1A1 4365/4885GAA 1865/4885

“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.