SCHEMBL4480049

SCHEMBL4480049

CN(C)c1ccccc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 6/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 4/20 0.37
MAPK1 P28482 3/20 0.37
PRKCQ Q04759 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
RAD52 P43351 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL4473467 0.92 PRKCQ (0.38) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4484863 0.89 PRKCQ (0.47) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4477250 0.87 PRKCQ (0.48) MAPTLMNASMN1; SMN2HPGDPOLB
SCHEMBL4475219 0.87 PRKCQ (0.47) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4475849 0.86 PRKCQ (0.49) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL4490150 0.86 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4477805 0.85 PRKCQ (0.49) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4475566 0.84 MAPT (0.60) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL4475649 0.84 SMN1; SMN2 (0.45) MAPTLMNAALDH1A1HTTSMN1; SMN2

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 3483/4885LMNA 2186/4885ALDH1A1 4365/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885LMNA 2186/4885ALDH1A1 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.