Sugi Predict

Sugi Predict / Compounds / SCHEMBL4468436

SCHEMBL4468436

SCHEMBL4468436

Nc1nc(NCc2csc3ccccc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ VCP P55072 1/20 0.35
▸ LMNA P02545 5/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MEN1 O00255 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
SCHEMBL4479892 0.88 CA2 (0.40) MAPTCA2MAPK1KMT2AGSK3A
SCHEMBL4490150 0.85 MAPT (0.42) MAPTSMN1; SMN2CYP1A2POLBCYP2D6
SCHEMBL4470722 0.83 NPY1R (0.43) MAPTSMN1; SMN2POLBMAPK1LMNA
SCHEMBL4477250 0.82 PRKCQ (0.48) MAPTSMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL4484863 0.82 PRKCQ (0.47) MAPTSMN1; SMN2POLBMAPK1VCP
SCHEMBL4475219 0.82 PRKCQ (0.47) MAPTSMN1; SMN2CYP1A2POLBMAPK1
SCHEMBL4475566 0.82 MAPT (0.60) MAPTSMN1; SMN2CYP1A2POLBMAPK1
SCHEMBL4480049 0.81 MAPT (0.41) MAPTSMN1; SMN2POLBCYP2D6CYP2C9
SCHEMBL4477217 0.80 MAPT (0.39) MAPTSMN1; SMN2CYP1A2POLBCYP2D6
SCHEMBL4482733 0.80 MAPT (0.37) MAPTSMN1; SMN2CYP1A2POLBCYP2D6

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