SCHEMBL2184694

SCHEMBL2184694

N#Cc1ncc(NCCF)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
MALT1 Q9UDY8 1/20 0.33
AR P10275 2/20 0.33
MAPT P10636 2/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
IDO1 P14902 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
SCHEMBL2181555 0.75 CHEK1 (0.39) CHEK1JAK2
SCHEMBL15921542 0.72 MALT1 (0.43) JAK2JAK1MALT1ARKCNQ3
SCHEMBL16769277 0.71 CYP11B1 (0.40) EGLN2ALDH1A1
SCHEMBL186339 0.70 EGLN2 (0.42) JAK2JAK1EGLN2SMN1; SMN2ALDH1A1
SCHEMBL29929823 0.70 EGLN2 (0.42) JAK2JAK1EGLN2SMN1; SMN2ALDH1A1
SCHEMBL24826947 0.68 KDM4E (0.43) MALT1ARMAPTKCNQ3KCNQ2
SCHEMBL12721108 0.67 EGLN2 (0.40) JAK2JAK1EGLN2ALDH1A1
SCHEMBL2298550 0.67 EGLN2 (0.40) EGLN2ALDH1A1
SCHEMBL3189266 0.67 EGLN2 (0.40) JAK2JAK1EGLN2SMN1; SMN2ALDH1A1
SCHEMBL1977038 0.67 EGLN2 (0.40) CHEK1JAK2JAK1EGLN2AR

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-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 US disclosed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 CHEK1 2282/4885JAK2 884/4885JAK1 1348/4885

“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.