SCHEMBL4885758

SCHEMBL4885758

Cc1cccc(C#N)c1-n1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
BIRC5 O15392 1/20 0.38
PRKD3 O94806 1/20 0.37
PRKCG P05129 1/20 0.37
PRKCB P05771 1/20 0.37
PRKCA P17252 1/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PRKCH P24723 1/20 0.37
PRKCI P41743 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCZ Q05513 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKD1 Q15139 1/20 0.37
MAPK1 P28482 2/20 0.37
C5AR1 P21730 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL4885761 0.79 CA1 (0.39) TSHRBIRC5PRKD3PRKCGPRKCB
SCHEMBL2581647 0.77 ALB (0.40) TSHRPRKD3PRKCGPRKCBPRKCA
SCHEMBL699112 0.76 BIRC5 (0.43) TSHRBIRC5PRKD3PRKCGPRKCB
SCHEMBL30097476 0.76 BIRC5 (0.43) TSHRBIRC5PRKD3PRKCGPRKCB
SCHEMBL19269126 0.75 BIRC5 (0.46) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL16127345 0.73 TSHR (0.50) TSHRC5AR1CA1CA2L3MBTL1
SCHEMBL28162250 0.73 TSHR (0.46) TSHRMAPK1CA1CA2L3MBTL1
SCHEMBL13483670 0.73 BIRC5 (0.50) BIRC5PRKD3PRKCGPRKCBPRKCA
SCHEMBL484191 0.72 FABP4 (0.44) TSHRPRKD3PRKCGPRKCBPRKCA
SCHEMBL9428481 0.70 TSHR (0.46) TSHRCA1CA2IMPDH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633369-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2020-04-28 US disclosed
US-20180201606-A1 METHOD OF INHIBITING DYRK1B 4 SC AG (DE) 2018-07-19 US disclosed
US-9951050-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2018-04-24 US disclosed
US-20140371251-A1 METHOD OF INHIBITING DYRK1B 4SC DISCOVERY GMBH (DE) 2014-12-18 US disclosed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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 (4 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-10633369-B2 Method of inhibiting DYRK1B SMO, GLI1, GRK2 TSHR 495/4885BIRC5 2580/4885PRKD3 151/4885
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 TSHR 3318/4885BIRC5 2419/4885PRKD3 424/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 TSHR 495/4885BIRC5 2580/4885PRKD3 151/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 TSHR 495/4885BIRC5 2580/4885PRKD3 151/4885

“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.