SCHEMBL31756017

SCHEMBL31756017

Cc1cc2cnc(Cl)nc2n1[C@H]1CCNC[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
CHRNB2 P17787 6/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
CHRNA4 P43681 6/20 0.35
KCNH2 Q12809 5/20 0.33
PIM1 P11309 4/20 0.33
PIM2 Q9P1W9 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 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
SCHEMBL31756438 1.00 JAK2 (0.43) JAK2JAK1CHRNB2CHRNB4CHRNA3
SCHEMBL34467918 0.94 JAK2 (0.39) JAK2JAK1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL34468017 0.93 JAK2 (0.38) JAK2JAK1CHRNB2CHRNB4CHRNA3
SCHEMBL34467973 0.83 JAK2 (0.37) JAK2JAK1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL31755992 0.82 JAK2 (0.38) JAK2JAK1CHRNB2CHRNB4CHRNA3
SCHEMBL34467950 0.80 SMN1; SMN2 (0.34)
SCHEMBL34467965 0.80 SMN1; SMN2 (0.34)
SCHEMBL31756221 0.80 SMN1; SMN2 (0.34)
SCHEMBL34467982 0.80 SMN1; SMN2 (0.34)
SCHEMBL34467960 0.79 JAK2 (0.44) JAK2JAK1CHRNB2CHRNB4CHRNA3

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.