Sugi Predict

Sugi Predict / Compounds / SCHEMBL4470832

SCHEMBL4470832

SCHEMBL4470832

Cc1ocnc1CNc1nc(N)c([N+](=O)[O-])c(C[C@H]2CC[C@H](N)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.39
▸ LMNA P02545 8/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL4489265 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4477232 0.80 SMN1; SMN2 (0.42) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4483078 0.80 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4478175 0.80 MAPT (0.51) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4484863 0.80 PRKCQ (0.47) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4484345 0.79 SMN1; SMN2 (0.39) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4475566 0.79 MAPT (0.60) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4478471 0.79 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL5165782 0.78 MAPT (0.39) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL4477805 0.78 PRKCQ (0.49) ALDH1A1LMNASMN1; SMN2KMT2ATDP1

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 ALDH1A1 4365/4885LMNA 2186/4885SMN1; SMN2 3820/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH ALDH1A1 4365/4885LMNA 2186/4885SMN1; SMN2 3820/4885

“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.