SCHEMBL6519437

SCHEMBL6519437

CSc1ncc(Br)c(N[C@H]2CCCNC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.43
CCNK O75909 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CDK9 P50750 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
PRKCI P41743 2/20 0.43
BRD4 O60885 1/20 0.42
CHEK1 O14757 8/20 0.42
PRKCZ Q05513 1/20 0.39
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.38
GABBR2 O75899 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL6519445 1.00 CCNT1 (0.43) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL4065318 0.85 KMT2A (0.50) MEN1GABBR2CYP1A2CYP2C9CYP2C19
SCHEMBL29991645 0.85 KMT2A (0.50) MEN1GABBR2CYP1A2CYP2C9CYP2C19
SCHEMBL6526224 0.81 KMT2A (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL6526221 0.81 KMT2A (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL16429174 0.76 MERTK (0.60) MEN1GABBR2CYP1A2CYP2C9CYP2C19
SCHEMBL16429175 0.76 MERTK (0.60) MEN1GABBR2CYP1A2CYP2C9CYP2C19
SCHEMBL6523632 0.72 JAK2 (0.61)
SCHEMBL6523630 0.72 JAK2 (0.61)
SCHEMBL29991907 0.71 MERTK (0.34) MEN1GABBR2CYP1A2CYP2C9CYP2C19

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 6 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
US-20110059118-A1 INHIBITORS OF JAK DE VICENTE FIDALGO JAVIER 2011-03-10 US 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 CCNT1 2794/4885CCNK 2109/4885CCNE1 2223/4885

“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.