SCHEMBL6000091

SCHEMBL6000091

Nc1nc(NC(Cc2ccccc2)c2ccccc2)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
BLM P54132 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MGMT P16455 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4475566 0.85 MAPT (0.60) MAPTMAPK1LMNAHPGDPOLB
SCHEMBL4479341 0.82 KMT2A (0.57) MAPTMAPK1LMNAHPGDPOLB
SCHEMBL4485419 0.81 CALCRL (0.40) MAPTMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL4477313 0.81 CALCRL (0.40) MAPTMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL3812476 0.80 PRKCQ (0.55) MAPTMAPK1LMNAHPGDSMN1; SMN2
SCHEMBL3816376 0.80 PRKCQ (0.55) MAPTMAPK1LMNAHPGDSMN1; SMN2
SCHEMBL4489964 0.77 MAPT (0.49) MAPTMAPK1LMNAHPGDPOLB
SCHEMBL4490590 0.76 PRKCQ (0.49) MAPTMAPK1LMNAHPGDPOLB
SCHEMBL4468391 0.76 MAPT (0.46) MAPTMAPK1LMNAHPGDPOLB
SCHEMBL4490167 0.76 KMT2A (0.53) MAPTMAPK1LMNAHPGDPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MAPT 3483/4885MAPK1 662/4885LMNA 2186/4885

“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.