SCHEMBL20623995

SCHEMBL20623995

Cc1n[nH]c(C)c1C#CSI

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.38
▸ TSHR P16473 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
SCHEMBL20623471 0.78 — —
SCHEMBL20623469 0.78 — —
SCHEMBL20623293 0.77 — —
SCHEMBL19120698 0.74 DYRK1A (0.44) DYRK1ATSHR
SCHEMBL22279031 0.68 — —
SCHEMBL1205854 0.58 — —
SCHEMBL17561029 0.57 AKT2 (0.58) DYRK1ATSHR
SCHEMBL22242018 0.55 — —
SCHEMBL24343961 0.55 PDPK1 (0.34) —
SCHEMBL19941194 0.54 — —

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-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 — — US disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 — — US disclosed
WO-2017117708-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2017-07-13 — — 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 (2 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-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C DYRK1A 3502/4885TSHR 3396/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C DYRK1A 3502/4885TSHR 3396/4885

“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.

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