SCHEMBL2735441

SCHEMBL2735441

COC(=O)c1ccc2nc(NC(=O)c3[nH]cnc3C(=O)Nc3cc(Br)ccc3C)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CSNK1E P49674 1/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL215210 0.93 KMT2A (0.42) MMP2MMP9MMP8MMP13IRAK4
SCHEMBL2735463 0.91 GAA (0.47) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2735461 0.87 GAA (0.43) IRAK4ALDH1A1KMT2AKDM4EMAPT
SCHEMBL2735331 0.86 RAB9A (0.52) IRAK4ALDH1A1KMT2AKDM4EMAPT
SCHEMBL214362 0.86 GAA (0.47) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215846 0.84 GAA (0.44) IRAK4ALDH1A1KMT2AKDM4EMAPT
SCHEMBL215375 0.84 GAA (0.44) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL215014 0.83 ALDH1A1 (0.42) IRAK4ALDH1A1KMT2AKDM4EMAPT
SCHEMBL215715 0.82 LMNA (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL214927 0.82 GAA (0.43) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 MMP2 3197/4885MMP9 2020/4885MMP8 2027/4885

“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.