SCHEMBL4469214

SCHEMBL4469214

Nc1nc(NCCc2ccncc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.38
PRKCQ Q04759 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
RAB9A P51151 1/20 0.38
MGMT P16455 1/20 0.38
POLB P06746 2/20 0.37
KCNH3 Q9ULD8 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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) KMT2AMAPTPRKCQPOLBLMNA
SCHEMBL4473465 0.91 MAPT (0.47) KMT2AMAPTMGMTPOLBPKM
SCHEMBL4491193 0.89 PRKCQ (0.48) KMT2AMAPTPRKCQNPC1MITF
SCHEMBL4467715 0.89 KMT2A (0.48) KMT2AMAPTPRKCQNPC1MITF
SCHEMBL5998038 0.84 PRKCQ (0.51) KMT2AMAPTPRKCQMGMTPOLB
SCHEMBL4482286 0.84 KMT2A (0.45) KMT2AMAPTPRKCQPOLBPKM
SCHEMBL4476877 0.84 KMT2A (0.42) KMT2AMAPTPRKCQNPC1MITF
SCHEMBL3812825 0.83 KMT2A (0.57) KMT2AMAPTPRKCQNPC1MITF
SCHEMBL4479907 0.83 PRKCQ (0.50) KMT2AMAPTPRKCQNPC1MITF
SCHEMBL4475566 0.82 MAPT (0.60) KMT2AMAPTPRKCQPOLBLMNA

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.