Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477953

SCHEMBL4477953

SCHEMBL4477953

Nc1nc(NCc2cncc(Br)c2)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 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 5/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4477232 0.89 SMN1; SMN2 (0.42) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4468391 0.87 MAPT (0.46) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4479093 0.84 PRKCQ (0.46) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4489964 0.84 MAPT (0.49) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4473465 0.83 MAPT (0.47) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4491551 0.82 CYP1A2 (0.43) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4475566 0.82 MAPT (0.60) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4479339 0.80 MAPT (0.42) MAPTSMN1; SMN2POLBLMNAMAPK1
SCHEMBL4483348 0.80 PRKCQ (0.40) MAPTLMNAKMT2ACYP1A2L3MBTL1
SCHEMBL4469501 0.79 PRKCQ (0.37) MAPTSMN1; SMN2POLBLMNAMAPK1

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 3820/4885POLB 205/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885SMN1; SMN2 3820/4885POLB 205/4885

“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.