SCHEMBL24325943

SCHEMBL24325943

CN(c1cncc(Br)n1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.36
GBA1 P04062 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
JAK1 P23458 6/20 0.32
JAK2 O60674 3/20 0.32
LCK P06239 5/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 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
SCHEMBL29571645 1.00 JAK3 (0.36) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL1326323 0.79 JAK3 (0.36) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL29600245 0.76 JAK3 (0.35) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL24323944 0.76 JAK3 (0.35) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL15908316 0.75 JAK3 (0.43) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL24324142 0.75 JAK3 (0.40) JAK3GBA1SMN1; SMN2MITFALDH1A1
SCHEMBL19947332 0.74 CYP11B1 (0.35)
SCHEMBL24325981 0.70 POLB (0.44) JAK3GBA1JAK1JAK2LCK
SCHEMBL24324012 0.70 TSHR (0.37) JAK3LCK
SCHEMBL29060237 0.68 JAK3 (0.30) JAK3

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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B JAK3 4118/4885GBA1 702/4885SMN1; SMN2 4787/4885

“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.