SCHEMBL3841587

SCHEMBL3841587

NC(=O)c1nn(CCN2CCCC2)c2cc[c]cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PARP1 P09874 2/20 0.36
CNR2 P34972 6/20 0.36
CNR1 P21554 5/20 0.36
BCHE P06276 5/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 1/20 0.32
CFD P00746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL2932380 0.83 PARP1 (0.40) AURKACCNA2CDK2CCNA1PARP1
SCHEMBL3816429 0.79 PARP1 (0.37) PARP1CNR2CNR1KDM4CCFD
SCHEMBL3840072 0.78 KDM4C (0.37) AURKACCNA2CDK2CCNA1PARP1
SCHEMBL2931203 0.74 KDM4E (0.38) CCNA2CDK2CCNA1PARP1KDM4E
SCHEMBL3843011 0.74 CNR2 (0.47) PARP1CNR2CNR1
SCHEMBL7550775 0.72 CNR2 (0.62) PARP1CNR2CNR1KDM4E
SCHEMBL3843932 0.72 CNR2 (0.40) CNR2CNR1
SCHEMBL3839667 0.72 KMT2A (0.42) KDM4EHSD17B10
SCHEMBL28079408 0.70 ELANE (0.49) PARP1KDM4ECFD
SCHEMBL3843007 0.69 SRC (0.39) PARP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R AURKA 1493/4885CCNA2 3091/4885CDK2 1512/4885

“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.