SCHEMBL5872808

SCHEMBL5872808

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(C(=O)Nc2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
NAMPT P43490 7/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 1/20 0.46
DYRK1A Q13627 4/20 0.45
CLK2 P49760 3/20 0.45
CLK3 P49761 3/20 0.45
WNT1 P04628 1/20 0.45
ROCK2 O75116 1/20 0.44
MAP2K4 P45985 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL5872968 0.80 IDO1 (0.68) GAAHPGDKDM4EALDH1A1CYP11B1
SCHEMBL14360681 0.77 KDM4E (0.57) GAAHPGDNAMPTRAB9ALMNA
SCHEMBL22044452 0.76 MAP2K4 (0.69) GAAHPGDMAPK1NAMPTKDM4E
SCHEMBL5777277 0.75 KDM4E (0.63) GAAHPGDMAPK1RAB9ANPC1
SCHEMBL5776631 0.74 IDO1 (0.50) GAAHPGDRAB9ANPC1KDM4E
SCHEMBL14360947 0.74 LMNA (0.52) GAAHPGDMAPK1NAMPTRAB9A
SCHEMBL22044845 0.74 LMNA (0.56) GAANAMPTRAB9ALMNANPC1
SCHEMBL8258224 0.74 CYP11B1 (0.64) GAAMAPK1NAMPTRAB9ALMNA
SCHEMBL5873135 0.73 MAPK10 (0.52) DYRK1ACLK2CLK3ROCK2MAP2K4
SCHEMBL28291152 0.71 FLT3 (0.74) DYRK1ACLK2CLK3WNT1IDO1

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-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
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 GAA 183/4885HPGD 378/4885MAPK1 2837/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B GAA 183/4885HPGD 378/4885MAPK1 2837/4885

“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.