SCHEMBL6522312

SCHEMBL6522312

CS(=O)(=O)[C@H]1CCC[C@H](Nc2nc(Cl)ncc2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
AXL P30530 1/20 0.39
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PTGES O14684 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
IRAK1 P51617 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK8 P45983 2/20 0.31

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
SCHEMBL27882094 1.00 KMT2A (0.43) KMT2AJAK1TYK2AXLABL1
SCHEMBL6522308 1.00 KMT2A (0.43) KMT2AJAK1TYK2AXLABL1
SCHEMBL6522303 1.00 KMT2A (0.43) KMT2AJAK1TYK2AXLABL1
SCHEMBL586310 0.82 KMT2A (0.60) KMT2AJAK1TYK2AXLMEN1
SCHEMBL1976634 0.79 KMT2A (0.65) KMT2AJAK1TYK2AXLMEN1
SCHEMBL29860203 0.79 KMT2A (0.65) KMT2AJAK1TYK2AXLMEN1
SCHEMBL30990742 0.79 KMT2A (0.48) KMT2AAXLJAK3CDK2IRAK1
SCHEMBL24799800 0.78 KMT2A (0.68) KMT2AJAK1TYK2AXLMEN1
SCHEMBL2305520 0.78 KMT2A (0.68) KMT2AJAK1TYK2AXLMEN1
SCHEMBL2302601 0.78 KMT2A (0.68) KMT2AJAK1TYK2AXLMEN1

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-8618103-B2 Inhibitors of JAK HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
EP-2475667-A1 INHIBITORS OF JAK F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029804-A1 INHIBITORS OF JAK F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 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-20110059118-A1 INHIBITORS OF JAK JAK1, JAK3, JAK2 KMT2A 523/4885JAK1 1/4885TYK2 17/4885

“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.