SCHEMBL4885761

SCHEMBL4885761

Cc1c(C#N)cccc1-n1ccc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BIRC5 O15392 1/20 0.38
TSHR P16473 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
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30097476 0.85 BIRC5 (0.43) CA1CA2BIRC5TSHRPRKD3
SCHEMBL699112 0.85 BIRC5 (0.43) CA1CA2BIRC5TSHRPRKD3
SCHEMBL8934717 0.79 ALDH1A1 (0.46) BIRC5TSHRPRKD3PRKCGPRKCB
SCHEMBL4885758 0.79 TSHR (0.46) CA1CA2BIRC5TSHRPRKD3
SCHEMBL1692690 0.78 AR (0.37) BIRC5
SCHEMBL28037181 0.75 MAOB (0.43) TSHRKDM4EHIF1AKMT2ABRPF1
SCHEMBL5604900 0.73 BIRC5 (0.47) BIRC5TSHRPRKD3PRKCGPRKCB
SCHEMBL29896751 0.73 BIRC5 (0.47) BIRC5TSHRPRKD3PRKCGPRKCB
SCHEMBL28162250 0.73 TSHR (0.46) CA1CA2TSHRKDM4ESMN1; SMN2
SCHEMBL9428481 0.73 TSHR (0.46) CA1CA2TSHRKDM4ESMN1; SMN2

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 CA1 3874/4885CA2 1954/4885BIRC5 2580/4885
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 CA1 2914/4885CA2 2380/4885BIRC5 2419/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 CA1 3874/4885CA2 1954/4885BIRC5 2580/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 CA1 3874/4885CA2 1954/4885BIRC5 2580/4885

“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.