SCHEMBL14845847

SCHEMBL14845847

Cc1ccc(-c2ccnc3[nH]cc(Sc4cccs4)c23)cc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
DYRK1A Q13627 3/20 0.36
DYRK1B Q9Y463 2/20 0.36
PIM1 P11309 1/20 0.36
DYRK2 Q92630 1/20 0.36
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
NTRK1 P04629 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL857088 0.87 LRRK2 (0.55) LRRK2DYRK1ADYRK1BPIM1DYRK2
SCHEMBL858192 0.87 LRRK2 (0.43) LRRK2DYRK1ADYRK1BPIM1DYRK2
SCHEMBL857413 0.86 PDE7A (0.41) LRRK2DYRK1ADYRK1BPIM1DYRK2
SCHEMBL7976966 0.83 LRRK2 (0.38) LRRK2DYRK1ADYRK1BPIM1DYRK2
SCHEMBL857285 0.83 LRRK2 (0.52) LRRK2ALDH1A1
SCHEMBL856913 0.83 CDK2 (0.49) LRRK2PIM1MEN1KMT2A
SCHEMBL857975 0.82 LRRK2 (0.57) LRRK2LMNADYRK1ASIK1SIK2
SCHEMBL856853 0.81 FYN (0.42) LRRK2DYRK1BMEN1KMT2A
SCHEMBL857617 0.80 LRRK2 (0.44) LRRK2
SCHEMBL857747 0.80 TGFBR1 (0.41) LRRK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 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 (3 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885LMNA 2202/4885ALOX12 3548/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885LMNA 2202/4885ALOX12 3548/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885LMNA 2202/4885ALOX12 3548/4885

“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.