SCHEMBL4479734

SCHEMBL4479734

Nc1nc(NCc2ccccc2OC(F)(F)F)nc(C[C@H]2CC[C@H](NCc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.48
MAPT P10636 8/20 0.43
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4472436 0.95 PRKCQ (0.46) PRKCQMAPTLMNAHPGDPOLB
SCHEMBL4475471 0.93 PRKCQ (0.44) PRKCQMAPTLMNAHPGDPOLB
SCHEMBL4472728 0.91 PRKCQ (0.47) PRKCQMAPTPOLBL3MBTL1KMT2A
SCHEMBL4477310 0.91 PRKCQ (0.48) PRKCQMAPTLMNAHPGDSMN1; SMN2
SCHEMBL4480711 0.91 PRKCQ (0.49) PRKCQMAPTLMNAHPGDPOLB
SCHEMBL4475018 0.90 PRKCQ (0.47) PRKCQMAPTLMNAHPGDEPHX2
SCHEMBL4471874 0.90 PRKCQ (0.45) PRKCQMAPTLMNAHPGDSMN1; SMN2
SCHEMBL4487627 0.89 PRKCQ (0.46) PRKCQMAPTLMNAHPGDPOLB
SCHEMBL4477462 0.89 PRKCQ (0.48) PRKCQMAPTPOLBKMT2ABLM
SCHEMBL4484412 0.89 PRKCQ (0.47) PRKCQMAPTEPHX2

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 2/4885MAPT 3483/4885LMNA 2186/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH PRKCQ 2/4885MAPT 3483/4885LMNA 2186/4885

“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.