Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477617

SCHEMBL4477617

SCHEMBL4477617

Nc1nc(NCCc2nc3ccccc3[nH]2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL4479341 0.84 KMT2A (0.57) MAPTL3MBTL1LMNAKMT2AMAPK1
SCHEMBL4484323 0.83 HTR1A (0.47) MAPTL3MBTL1LMNAKMT2APKM
SCHEMBL4479907 0.81 PRKCQ (0.50) MAPTKMT2AMAPK1POLBNPC1
SCHEMBL4476877 0.80 KMT2A (0.42) MAPTLMNAKMT2APKMMAPK1
SCHEMBL4469214 0.79 KMT2A (0.46) MAPTLMNAKMT2APKMMAPK1
SCHEMBL4475566 0.79 MAPT (0.60) MAPTL3MBTL1LMNAKMT2AMAPK1
SCHEMBL4491193 0.78 PRKCQ (0.48) MAPTL3MBTL1KMT2APKMHTT
SCHEMBL4467715 0.78 KMT2A (0.48) MAPTL3MBTL1LMNAKMT2APKM
SCHEMBL4482286 0.77 KMT2A (0.45) MAPTL3MBTL1LMNAKMT2APKM
SCHEMBL5998038 0.77 PRKCQ (0.51) MAPTL3MBTL1KMT2APKMMAPK1

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 3483/4885L3MBTL1 4151/4885THRB 1066/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885L3MBTL1 4151/4885THRB 1066/4885

“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.