SCHEMBL4491859

SCHEMBL4491859

Nc1nc(NCc2cccc(N3CCCCC3)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.43
MAP4K4 O95819 1/20 0.41
MEN1 O00255 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 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 1.00 LMNA (0.45) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4484640 0.99 LMNA (0.44) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4478175 0.84 MAPT (0.51) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4490590 0.84 PRKCQ (0.49) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4468391 0.84 MAPT (0.46) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4490167 0.84 KMT2A (0.53) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4475566 0.84 MAPT (0.60) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4472700 0.83 LMNA (0.46) LMNAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4476078 0.82 LMNA (0.46) LMNAKMT2AMAPTSMN1; SMN2TDP1
SCHEMBL4485111 0.82 MAPT (0.44) LMNAALDH1A1KMT2AMAPTSMN1; SMN2

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 5 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
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 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 (2 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH LMNA 2186/4885ALDH1A1 4365/4885KMT2A 2429/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH LMNA 2186/4885ALDH1A1 4365/4885KMT2A 2429/4885

“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.