SCHEMBL6526224

SCHEMBL6526224

Clc1ncc(Br)c(NC2CCCNC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CCNT1 O60563 6/20 0.45
CCNK O75909 6/20 0.45
CCNE1 P24864 6/20 0.45
CDK2 P24941 6/20 0.45
CDK9 P50750 6/20 0.45
CDK12 Q9NYV4 6/20 0.45
PRKCI P41743 1/20 0.45
CHEK1 O14757 8/20 0.44
BRD4 O60885 1/20 0.42
MAPKAPK2 P49137 1/20 0.41
PRKCZ Q05513 1/20 0.41
CDK7 P50613 5/20 0.40
CCNH P51946 4/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
PDGFRB P09619 1/20 0.40
FLT3 P36888 1/20 0.40
BLK P51451 1/20 0.40
IRAK1 P51617 1/20 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
SCHEMBL6526221 1.00 KMT2A (0.48) KMT2ACCNT1CCNKCCNE1CDK2
SCHEMBL17196849 0.86 KMT2A (0.50) KMT2ACCNT1CCNKCCNE1CDK2
SCHEMBL586310 0.84 KMT2A (0.60) KMT2AAXL
SCHEMBL1976634 0.84 KMT2A (0.65) KMT2AAXL
SCHEMBL29860203 0.84 KMT2A (0.65) KMT2AAXL
SCHEMBL17797536 0.84 KMT2A (0.70) KMT2ACCNT1CCNKCCNE1CDK2
SCHEMBL17797539 0.84 KMT2A (0.70) KMT2ACCNT1CCNKCCNE1CDK2
SCHEMBL24799800 0.83 KMT2A (0.68) KMT2AAXL
SCHEMBL2302601 0.83 KMT2A (0.68) KMT2AAXL
SCHEMBL2305520 0.83 KMT2A (0.68) KMT2AAXL

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 523/4885CCNT1 2794/4885CCNK 2109/4885

“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.