SCHEMBL10100614

SCHEMBL10100614

CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC[C@H]4CCCN4)c(F)c3F)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
KCNN4 O15554 2/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
SCD O00767 1/20 0.33
CHRNB2 P17787 4/20 0.33
CHRNA2 Q15822 3/20 0.33
CHRNA4 P43681 3/20 0.33
MAP4K3 Q8IVH8 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
BTK Q06187 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
SCHEMBL10100608 1.00 LRRK2 (0.34) LRRK2KCNN4CHRNB4CHRNA3SCD
SCHEMBL10100609 0.88 MAP4K3 (0.36) LRRK2KCNN4SCDMAP4K3PRKCZ
SCHEMBL10100618 0.88 MAP4K3 (0.36) LRRK2KCNN4SCDMAP4K3PRKCZ
SCHEMBL10100674 0.86 PRPS1 (0.34) LRRK2PRMT5WDR77BTK
SCHEMBL10100666 0.85 SSTR2 (0.38) LRRK2MAP4K3
SCHEMBL10100684 0.83 JAK2 (0.36) LRRK2KCNN4BTK
SCHEMBL10100393 0.82 LRRK2 (0.38) LRRK2KCNN4
SCHEMBL10100689 0.82 JAK2 (0.36) LRRK2KCNN4BTK
SCHEMBL10100690 0.82 LRRK2 (0.35) LRRK2KCNN4BTK
SCHEMBL10100572 0.82 LRRK2 (0.37) LRRK2KCNN4PRMT5WDR77BTK

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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 (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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 LRRK2 856/4885KCNN4 4066/4885CHRNB4 4841/4885

“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.