SCHEMBL14928348

SCHEMBL14928348

CC[C@@H](CC1CC1)Nc1nc(Cl)c(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.41
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
POLB P06746 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CRHR1 P34998 4/20 0.33
PKM P14618 1/20 0.33
PGK1 P00558 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14923520 0.89 KHK (0.45) KHKACHEBCHEPOLBJAK2
SCHEMBL14928971 0.84 KHK (0.41) KHKACHEBCHEPOLBJAK2
SCHEMBL14928834 0.83 KHK (0.44) KHKPOLBJAK2JAK3CRHR1
SCHEMBL14928623 0.82 KHK (0.43) KHKJAK2JAK3KDM4EGAA
SCHEMBL14928858 0.82 KHK (0.43) KHKJAK2JAK3KDM4EGAA
SCHEMBL14928687 0.81 SOS1 (0.43) KHKACHEBCHEPOLBJAK2
SCHEMBL14928839 0.81 KHK (0.43) KHKPOLBCRHR1PKMPGK1
SCHEMBL14909736 0.80 ACHE (0.34) KHKACHEBCHEJAK2JAK3
SCHEMBL14909735 0.80 ACHE (0.34) KHKACHEBCHEJAK2JAK3
SCHEMBL14928413 0.80 KHK (0.42) KHKACHEBCHEPOLBJAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK KHK 2008/4885ACHE 4592/4885BCHE 4402/4885

“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.