SCHEMBL4479907

SCHEMBL4479907

Nc1nc(NCCc2ccccc2F)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.50
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 3/20 0.42
MGMT P16455 1/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 4/20 0.39
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
BLM P54132 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3812413 0.93 PRKCQ (0.59) PRKCQKMT2AALDH1A1POLBMGMT
SCHEMBL4475219 0.92 PRKCQ (0.47) PRKCQKMT2AALDH1A1POLBMGMT
SCHEMBL4479341 0.87 KMT2A (0.57) PRKCQKMT2APOLBMAPTCDK5
SCHEMBL4471148 0.87 PRKCQ (0.49) PRKCQKMT2AALDH1A1POLBMGMT
SCHEMBL4491193 0.86 PRKCQ (0.48) PRKCQKMT2AALDH1A1MGMTMEN1
SCHEMBL3817776 0.85 PRKCQ (0.56) PRKCQKMT2AMGMTMEN1ATM
SCHEMBL5998038 0.84 PRKCQ (0.51) PRKCQKMT2APOLBMGMTMEN1
SCHEMBL4476877 0.84 KMT2A (0.42) PRKCQKMT2AALDH1A1POLBMGMT
SCHEMBL4484323 0.83 HTR1A (0.47) KMT2APOLBMEN1RAB9ANPC1
SCHEMBL4469214 0.83 KMT2A (0.46) PRKCQKMT2AALDH1A1POLBMGMT

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 PRKCQ 2/4885KMT2A 2429/4885ALDH1A1 4365/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885KMT2A 2429/4885ALDH1A1 4365/4885

“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.