SCHEMBL2184130

SCHEMBL2184130

CC[C@H](CO)Nc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CHEK2 O96017 3/20 0.35
AMY1A P0DUB6 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PARP1 P09874 5/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL3430276 1.00 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19FGFR1
SCHEMBL2181319 0.96 CHEK2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19FGFR1
SCHEMBL12411866 0.91 CHEK2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CHEK2
SCHEMBL12411590 0.89 CHEK2 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19CHEK2
SCHEMBL12411614 0.86 AMY1A (0.38) CHEK2AMY1ADGAT2MMP2MMP3
SCHEMBL13658321 0.86 JAK2 (0.40) CHEK2AMY1AKDM4EMAPTHTT
SCHEMBL2185287 0.86 CHEK2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19CHEK2
SCHEMBL2184178 0.85 CHEK2 (0.36) CHEK2AMY1AKDM4EMAPTHTT
SCHEMBL2180942 0.85 CHEK2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19CHEK2
SCHEMBL2184182 0.85 CHEK2 (0.36) CHEK2AMY1AKDM4EMAPTHTT

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
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

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 CYP1A2 91/4885CYP3A4 867/4885CYP2C9 1037/4885

“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.