Sugi Predict

Sugi Predict / Compounds / SCHEMBL4484917

SCHEMBL4484917

SCHEMBL4484917

Nc1nc(NCc2cnccc2Cl)nc(C[C@H]2CC[C@H](N3CCC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ GSK3A P49840 4/20 0.38
▸ GSK3B P49841 4/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CDK5 Q00535 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ BLM P54132 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 5/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ PRKCQ Q04759 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ DCLK1 O15075 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL5008524 0.88 MAPT (0.39) MAPTGSK3AGSK3BKMT2ACDK5
SCHEMBL4474922 0.88 PRKCQ (0.37) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL4478939 0.81 MAPT (0.39) MAPTGSK3AGSK3BKMT2ACDK5
SCHEMBL4486381 0.80 MAPT (0.39) MAPTKMT2AMEN1BLMATM
SCHEMBL4465037 0.78 PRKCQ (0.48) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL4489990 0.78 ALDH1A1 (0.34) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL4469501 0.76 PRKCQ (0.37) MAPTGSK3AGSK3BKMT2ACDK5
SCHEMBL4477250 0.76 PRKCQ (0.48) MAPTGSK3AGSK3BCDK5LMNA
SCHEMBL4490685 0.76 PRKCQ (0.41) MAPTGSK3AGSK3BKMT2AMEN1
SCHEMBL13671857 0.76 PRKCQ (0.62) GSK3AGSK3BCDK5PRKCQDCLK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 — — US claimed
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 3483/4885GSK3A 68/4885GSK3B 64/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885GSK3A 68/4885GSK3B 64/4885

“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.