SCHEMBL3797695

SCHEMBL3797695

NC(=O)C1c2ccccc2-c2c(-c3ncc[nH]3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.58
TYRO3 Q06418 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
PARP1 P09874 2/20 0.39
ATM Q13315 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HSP90AB1 P08238 5/20 0.37
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NUDT1 P36639 1/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL4077067 1.00 CSNK1A1 (0.58) CSNK1A1TYRO3DYRK1BPARP1ATM
SCHEMBL2076070 0.79 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL2076069 0.79 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL2311956 0.77 RAB9A (0.54) HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL27776602 0.76 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL2312611 0.75 HSP90AB1 (0.65) HSP90AB1KDM4EALDH1A1
SCHEMBL2311645 0.75 HSP90AB1 (0.65) HSP90AB1KDM4EALDH1A1
SCHEMBL6825869 0.74 CSNK1A1 (1.00) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL27776598 0.74 CSNK1A1 (0.45) CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2
SCHEMBL2313612 0.73 HSP90AB1 (0.46) PARP1ATMHSP90AB1KDM4EALDH1A1

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 SANOFI-AVENTIS (FR) 2010-05-27 US claimed

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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 CSNK1A1 1212/4885TYRO3 4008/4885DYRK1B 4023/4885

“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.