SCHEMBL4476349

SCHEMBL4476349

NCC1CCC(N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
L3MBTL3 Q96JM7 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL13672013 1.00 NCF1 (0.44) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL29922552 0.98 NCF1 (0.43) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL17508766 0.85 NCF1 (0.54) NCF1PLGPLATLMNACYP2D6
SCHEMBL15045128 0.83 NCF1 (0.52) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL11176985 0.83 MEN1 (0.40) NCF1LMNACYP2D6HTR6MEN1
SCHEMBL5868081 0.81 NCF1 (0.50) NCF1CYP2D6HTR6MEN1KMT2A
SCHEMBL25260264 0.80 SMN1; SMN2 (0.40) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL1700250 0.80 SMN1; SMN2 (0.40) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL14013459 0.80 NCF1 (0.61) NCF1L3MBTL3L3MBTL1PLGPLAT
SCHEMBL10153922 0.80 NCF1 (0.45) NCF1PLGPLATLMNAMEN1

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-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
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US 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 NCF1 1873/4885L3MBTL3 4196/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH NCF1 1873/4885L3MBTL3 4196/4885L3MBTL1 4151/4885

“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.