SCHEMBL3511235

SCHEMBL3511235

Cc1csc(Cc2c(C(N)=O)cc(N3CCCC3)cc2C(N)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
CDC7 O00311 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
YWHAG P61981 1/20 0.34
IP6K1 Q92551 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34

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
SCHEMBL3647403 0.77 PARP1 (0.44) KDM4EHSD17B10ADAMTS5CCNA2CDK2
SCHEMBL3644511 0.76 CHUK (0.45) IKBKBCDC7MAPTADAMTS5
SCHEMBL3511239 0.74 SLC5A7 (0.46) KDM4EALOX15HSD17B10USP2NPC1
SCHEMBL3686284 0.73 KDM4E (0.40) IKBKBKDM4EALOX15HSD17B10USP2
SCHEMBL3509460 0.73 SLC5A7 (0.45) KDM4EALOX15HSD17B10USP2NPC1
SCHEMBL3648919 0.71 PIK3CB (0.36) ADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL3646709 0.71 MKNK1 (0.50) ADAMTS5MKNK1MKNK2
SCHEMBL2711080 0.68 ALDH1A1 (0.48) KDM4EHSD17B10ADAMTS5NPC1HTT
SCHEMBL29176205 0.66 MKNK1 (0.44) CDC7CDK9KDM4EALOX15HSD17B10
SCHEMBL30811722 0.66 MKNK1 (0.44) CDC7CDK9KDM4EALOX15HSD17B10

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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP IKBKB 504/4885CDC7 1988/4885CDK9 2942/4885

“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.