SCHEMBL2309822

SCHEMBL2309822

NC1c2ccccc2-c2c(-c3nc4cncnc4[nH]3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.41
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGFR P00533 1/20 0.30
PIK3CD O00329 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2309814 1.00 HSP90AB1 (0.41) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL27716043 0.83 HSP90AB1 (0.40) HSP90AB1
SCHEMBL2313612 0.83 HSP90AB1 (0.46) HSP90AB1SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL27715987 0.81 HSP90AB1 (0.41) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL13437139 0.80 HSP90AB1 (0.50) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL2311685 0.78 HSP90AB1 (0.61) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL2311652 0.78 HSP90AB1 (0.61) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL2313325 0.77 KEAP1 (0.39) SMN1; SMN2ALDH1A1GAAMAPTRAB9A
SCHEMBL2311299 0.77 MEN1 (0.40) HSP90AB1CDK1CDK2MKNK1MKNK2
SCHEMBL2311295 0.77 MEN1 (0.40) HSP90AB1CDK1CDK2MKNK1MKNK2

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
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 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-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 HSP90AB1 2/4885CDK1 2875/4885CDK2 2439/4885

“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.