SCHEMBL5769229

SCHEMBL5769229

CN(C)CCNC(=O)c1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.56
MAPK10 P53779 2/20 0.56
MAPK14 Q16539 2/20 0.56
CAMK2D Q13557 3/20 0.47
CSNK1D P48730 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP2K4 P45985 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
PRKD1 Q15139 1/20 0.46
HTR6 P50406 2/20 0.45
MAP4K4 O95819 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
AGTR1 P30556 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL5872930 0.91 HPGD (0.55) MAPK8MAPK10MAPK14MAP2K4HTR6
SCHEMBL5769985 0.81 MAP2K4 (0.71) MAPK8MAPK10MAPK14MAPK1MAP2K4
SCHEMBL31172260 0.74 MAPK1 (0.52) MAPK8MAPK10MAPK14CSNK1DMAPK1
SCHEMBL5772080 0.73 KDM4E (0.60) MAPK10MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5767752 0.73 KDM4E (0.51) MAPK10MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL5873071 0.73 MAPT (0.50) MAPK10CSNK1DMAPK1MAP2K4MAPKAPK3
SCHEMBL5773440 0.73 MAPK1 (0.53) MAPK8MAPK1MAP2K4KDM4ENPC1
SCHEMBL5772763 0.72 CYP19A1 (0.57) MAPK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL5769397 0.72 MAP2K4 (0.67) MAPK8MAPK10MAPK1MAP2K4MAPKAPK3
SCHEMBL8253947 0.72 MAP3K5 (0.55) MAPK8MAPK10MAPK14CAMK2DCSNK1D

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
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAPK8 2431/4885MAPK10 3809/4885MAPK14 2417/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAPK8 2431/4885MAPK10 3809/4885MAPK14 2417/4885

“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.