SCHEMBL31756293

SCHEMBL31756293

F[C@H]1CNCC[C@H]1n1ccc2cnc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
CHRNB2 P17787 6/20 0.34
CHRNB4 P30926 6/20 0.34
CHRNA3 P32297 6/20 0.34
CHRNA4 P43681 6/20 0.34
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
KCNH2 Q12809 1/20 0.31
BRAF P15056 3/20 0.30

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
SCHEMBL34467999 1.00 JAK2 (0.39) JAK2JAK1CHRNB2CHRNB4CHRNA3
SCHEMBL31756023 1.00 JAK2 (0.39) JAK2JAK1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31756026 0.99 JAK2 (0.38) JAK2JAK1CHRNB2CHRNB4CHRNA3
SCHEMBL34468010 0.94 JAK2 (0.34) JAK2JAK1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL34467968 0.85 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34467964 0.84 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34467992 0.84 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34467988 0.84 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34467922 0.84 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34468027 0.83 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001887-A1 CYCLIN-DEPENDENT KINASE INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2026-01-01 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-20260001887-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK4, CCNC, CDK2 JAK2 565/4885JAK1 755/4885CHRNB2 4010/4885

“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.