SCHEMBL22664616

SCHEMBL22664616

Nc1ncnc2c1c(-c1ccccc1)nn2CC1SSCC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K5 Q13163 5/20 1.00
▸ FYN P06241 11/20 0.84
▸ BTK Q06187 7/20 0.84
▸ SRC P12931 6/20 0.84
▸ LYN P07948 4/20 0.84
▸ FLT3 P36888 4/20 0.84
▸ PTK6 Q13882 4/20 0.84
▸ HCK P08631 3/20 0.84
▸ FGR P09769 3/20 0.84
▸ MAP2K1 Q02750 3/20 0.84
▸ BRAF P15056 3/20 0.84
▸ BMX P51813 3/20 0.84
▸ LCK P06239 2/20 0.84
▸ YES1 P07947 2/20 0.84
▸ BLK P51451 2/20 0.84
▸ RET P07949 2/20 0.84
▸ KIT P10721 2/20 0.84
▸ MAP2K6 P52564 2/20 0.84
▸ ERBB4 Q15303 2/20 0.84
▸ CSK P41240 1/20 0.84

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
SCHEMBL22664614 0.92 BTK (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664640 0.92 BTK (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664612 0.92 BTK (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664609 0.92 BTK (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664628 0.92 BTK (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664621 0.90 MAP2K5 (0.81) MAP2K5FYNBTKSRCLYN
SCHEMBL22664618 0.87 MAP2K5 (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664653 0.87 MAP2K5 (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664641 0.87 MAP2K5 (1.00) MAP2K5FYNBTKSRCLYN
SCHEMBL22664623 0.87 MAP2K5 (1.00) MAP2K5FYNBTKSRCLYN

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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 — — US claimed
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 — — US disclosed
US-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions SABILA BIOSCIENCES LLC (US) 2020-11-24 — — 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-10844038-B2 1,2-dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions BTK, FYN, YES1 MAP2K5 134/4885FYN 2/4885BTK 1/4885

“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.

Send feedback