Sugi Predict

Sugi Predict / Compounds / SCHEMBL4483078

SCHEMBL4483078

SCHEMBL4483078

Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(C[C@H]3CC[C@H](N)CC3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 6/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4474401 0.87 MAPT (0.40) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4489964 0.86 MAPT (0.49) SMN1; SMN2MAPTCYP1A2LMNAHPGD
SCHEMBL4475566 0.84 MAPT (0.60) SMN1; SMN2MAPTCYP1A2LMNAHPGD
SCHEMBL4475649 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4473465 0.83 MAPT (0.47) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4477232 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4489265 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4478175 0.83 MAPT (0.51) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4484345 0.82 SMN1; SMN2 (0.39) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4479339 0.82 MAPT (0.42) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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 SMN1; SMN2 3820/4885MAPT 3483/4885CYP1A2 2028/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH SMN1; SMN2 3820/4885MAPT 3483/4885CYP1A2 2028/4885

“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.