SCHEMBL4484323

SCHEMBL4484323

Nc1nc(NCCc2c[nH]c3ccccc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
DRD2 P14416 11/20 0.47
HTR2A P28223 11/20 0.47
HTR7 P34969 11/20 0.47
HTR6 P50406 11/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDK2 P24941 4/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL4479341 0.84 KMT2A (0.57) KMT2ALMNAMAPTMAPK1HTT
SCHEMBL4479907 0.83 PRKCQ (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL4477617 0.83 MAPT (0.42) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL4476877 0.80 KMT2A (0.42) HTR7NPC1RAB9AKMT2ALMNA
SCHEMBL4490150 0.80 MAPT (0.42) CDK2KMT2AMEN1LMNAMAPT
SCHEMBL4469214 0.79 KMT2A (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4475566 0.79 MAPT (0.60) KMT2ALMNAMAPTMAPK1HTT
SCHEMBL4491193 0.78 PRKCQ (0.48) HTR7HTR6NPC1RAB9AKMT2A
SCHEMBL4467715 0.78 KMT2A (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4470722 0.78 NPY1R (0.43) KMT2AMEN1LMNAMAPTPKM

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 HTR1A 3668/4885DRD2 2565/4885HTR2A 3380/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH HTR1A 3668/4885DRD2 2565/4885HTR2A 3380/4885

“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.