SCHEMBL2605067

SCHEMBL2605067

O=C(NC1c2ccccc2-c2c(-c3nc4ccccc4s3)cccc21)c1ccnc2[nH]ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.64
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TEK Q02763 3/20 0.39
AURKB Q96GD4 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
IGF1R P08069 2/20 0.38
AURKA O14965 1/20 0.38
INSR P06213 1/20 0.38
SRC P12931 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APOBEC3A P31941 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2605021 0.84 HSP90AB1 (0.62) HSP90AB1NUDT1TNKS
SCHEMBL2605028 0.84 HSP90AB1 (0.61) HSP90AB1ALDH1A1KDRSMN1; SMN2NUDT1
SCHEMBL2079191 0.84 HSP90AB1 (0.66) HSP90AB1KDRNUDT1TNKS
SCHEMBL2078323 0.84 HSP90AB1 (0.69) HSP90AB1MAPTALDH1A1KDRKDM4E
SCHEMBL2605098 0.84 HSP90AB1 (0.63) HSP90AB1AURKBIGF1RKDRNPSR1
SCHEMBL2605051 0.82 HSP90AB1 (0.68) HSP90AB1AURKBIGF1RKDRMEN1
SCHEMBL2605088 0.82 HSP90AB1 (0.61) HSP90AB1AURKBIGF1RKDRNPSR1
SCHEMBL2605043 0.81 HSP90AB1 (0.63) HSP90AB1KDRMEN1KMT2ANUDT1
SCHEMBL2605097 0.81 HSP90AB1 (0.61) HSP90AB1MAPTKDRKDM4ENUDT1
SCHEMBL2606627 0.81 HSP90AB1 (0.67) HSP90AB1AURKBIGF1RKDRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-8163750-B2 Fluorene derivatives, compositions containing the same and use thereof as inhibitors of the protein chaperone HSP 90 SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
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 disclosed
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 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-20100130503-A1 NEW FLUORENE DERIVATIVES, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AS INHIBITORS OF THE PROTEIN CHAPERONE HSP 90 HSP90AB2P, HSPA2, HSP90AB1 HSP90AB1 3/4885MAPT 1323/4885HPGD 1076/4885

“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.