SCHEMBL4473465

SCHEMBL4473465

Nc1nc(NCc2ccncc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGMT P16455 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL4469214 0.91 KMT2A (0.46) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4475566 0.91 MAPT (0.60) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4489964 0.88 MAPT (0.49) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4475649 0.86 SMN1; SMN2 (0.45) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL5177702 0.86 MAPT (0.49) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4491551 0.84 CYP1A2 (0.43) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4479093 0.84 PRKCQ (0.46) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL5008524 0.84 MAPT (0.39) MAPTPOLBSMN1; SMN2LMNAMAPK1
SCHEMBL4478939 0.84 MAPT (0.39) MAPTPOLBSMN1; SMN2MAPK1PKM
SCHEMBL4479339 0.84 MAPT (0.42) MAPTPOLBSMN1; SMN2LMNAMAPK1

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 3 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
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 3483/4885POLB 205/4885SMN1; SMN2 3820/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885POLB 205/4885SMN1; 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.