SCHEMBL4479341

SCHEMBL4479341

Nc1nc(NCCc2ccccc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MAPT P10636 5/20 0.48
PRKCQ Q04759 3/20 0.46
POLB P06746 1/20 0.46
APP P05067 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 1/20 0.43
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
CYP1A2 P05177 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL3812825 0.92 KMT2A (0.57) KMT2AMAPTPRKCQPOLBAPP
SCHEMBL4469214 0.91 KMT2A (0.46) KMT2AMAPTPRKCQPOLBSMN1; SMN2
SCHEMBL4475566 0.91 MAPT (0.60) KMT2AMAPTPRKCQPOLBSMN1; SMN2
SCHEMBL4491193 0.90 PRKCQ (0.48) KMT2AMAPTPRKCQCYP1A2L3MBTL1
SCHEMBL4467715 0.90 KMT2A (0.48) KMT2AMAPTPRKCQPOLBSMN1; SMN2
SCHEMBL4482286 0.89 KMT2A (0.45) KMT2AMAPTPRKCQPOLBAPP
SCHEMBL5998038 0.89 PRKCQ (0.51) KMT2AMAPTPRKCQPOLBMAPK1
SCHEMBL4479907 0.87 PRKCQ (0.50) KMT2AMAPTPRKCQPOLBMAPK1
SCHEMBL4476877 0.87 KMT2A (0.42) KMT2AMAPTPRKCQPOLBLMNA
SCHEMBL3815033 0.86 PRKCQ (0.57) KMT2AMAPTPRKCQPOLBSMN1; 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 KMT2A 2429/4885MAPT 3483/4885PRKCQ 2/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885MAPT 3483/4885PRKCQ 2/4885

“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.