SCHEMBL4490167

SCHEMBL4490167

Nc1nc(NCc2cccc(F)c2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
CYP1A2 P05177 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 6/20 0.49
PRKCQ Q04759 2/20 0.49
MEN1 O00255 2/20 0.49
APP P05067 1/20 0.45
MGMT P16455 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 3/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
MAPK1 P28482 2/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3812750 0.93 PRKCQ (0.57) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL5998038 0.92 PRKCQ (0.51) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4491551 0.90 CYP1A2 (0.43) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4490590 0.89 PRKCQ (0.49) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4478175 0.89 MAPT (0.51) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4468391 0.89 MAPT (0.46) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4475566 0.88 MAPT (0.60) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4479339 0.88 MAPT (0.42) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4476078 0.87 LMNA (0.46) KMT2ACYP1A2L3MBTL1MAPTPRKCQ
SCHEMBL4485111 0.86 MAPT (0.44) KMT2ACYP1A2L3MBTL1MAPTPRKCQ

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 2429/4885CYP1A2 2028/4885L3MBTL1 4151/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH KMT2A 2429/4885CYP1A2 2028/4885L3MBTL1 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.