SCHEMBL4475566

SCHEMBL4475566

Nc1nc(NCc2ccccc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 4/20 0.53
MAPK1 P28482 3/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
BLM P54132 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.44
PRKCQ Q04759 1/20 0.44

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 0.91 KMT2A (0.57) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4473465 0.91 MAPT (0.47) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4489964 0.89 MAPT (0.49) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4490167 0.88 KMT2A (0.53) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4468391 0.88 MAPT (0.46) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4490590 0.88 PRKCQ (0.49) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4478175 0.88 MAPT (0.51) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4475649 0.87 SMN1; SMN2 (0.45) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4476078 0.86 LMNA (0.46) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4477250 0.86 PRKCQ (0.48) MAPTPOLBSMN1; SMN2LMNAMAPK1

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 MAPT 3483/4885POLB 205/4885SMN1; SMN2 3820/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885POLB 205/4885SMN1; SMN2 3820/4885

“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.