SCHEMBL3560563

SCHEMBL3560563

N#CCC1=C(c2ccc(NC(=O)c3c(F)cccc3F)cc2)CNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CHRNA7 P36544 1/20 0.39
KCNH2 Q12809 1/20 0.39
IL2 P60568 5/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL984197 0.80 MEN1 (0.48) JAK2JAK1TYK2HTTNOD2
SCHEMBL3561694 0.78 JAK2 (0.41) JAK2JAK1TYK2HTTNOD2
SCHEMBL8227220 0.77 JAK2 (0.45) JAK2JAK1TYK2HTTNOD2
SCHEMBL8234504 0.76 MEN1 (0.44) JAK2JAK1TYK2HTTNOD2
SCHEMBL8237107 0.74 HTT (0.44) JAK2JAK1TYK2HTTNOD2
SCHEMBL985045 0.71 JAK2 (0.48) JAK2JAK1TYK2HTTNOD2
SCHEMBL986980 0.71 JAK2 (0.48) JAK2JAK1TYK2HTTNOD2
SCHEMBL987081 0.70 JAK2 (0.47) JAK2JAK1TYK2HTTNOD2
SCHEMBL986015 0.70 JAK2 (0.47) JAK2JAK1TYK2HTTNOD2
SCHEMBL988579 0.69 JAK2 (0.48) JAK2JAK1TYK2HTTNOD2

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-7816535-B2 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-10-19 US disclosed
US-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders SYNTA PHARMACEUTICALS CORP. 2007-10-25 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-20070249051-A1 such as N-[4-(1,4-dimethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-phenyl]-2,6-difluoro-benzamide; immunosuppressive agents; allergic disorders, and immune disorders IL4, IL5, IL2 JAK2 919/4885JAK1 293/4885TYK2 801/4885

“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.