SCHEMBL10100685

SCHEMBL10100685

CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCCN4CCCCC4)c(F)c3F)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
JAK2 O60674 2/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
KDR P35968 2/20 0.33
CYP3A4 P08684 1/20 0.33
KCNN4 O15554 2/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 1/20 0.32
FGFR1 P11362 2/20 0.32
LMNA P02545 1/20 0.32
AURKB Q96GD4 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
BTK Q06187 1/20 0.32
BMPR1B O00238 1/20 0.32

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
SCHEMBL10100690 0.99 LRRK2 (0.35) LRRK2JAK2L3MBTL1ALDH1A1KDM4E
SCHEMBL10100689 0.98 JAK2 (0.36) LRRK2JAK2KDRCYP3A4KCNN4
SCHEMBL10100684 0.97 JAK2 (0.36) LRRK2JAK2KDRCYP3A4KCNN4
SCHEMBL10100687 0.93 IKBKE (0.40) LRRK2JAK2ALDH1A1KDM4EFGFR1
SCHEMBL10100673 0.92 JAK2 (0.36) LRRK2JAK2L3MBTL1ALDH1A1KDM4E
SCHEMBL10100678 0.92 LRRK2 (0.39) LRRK2L3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL10100669 0.92 JAK2 (0.36) LRRK2JAK2L3MBTL1ALDH1A1KDM4E
SCHEMBL10100681 0.91 LRRK2 (0.39) LRRK2L3MBTL1ALDH1A1KDM4EKDR
SCHEMBL10100683 0.91 IKBKE (0.39) LRRK2JAK2FGFR1FGFR2FGFR3
SCHEMBL2360012 0.90 JAK2 (0.38) LRRK2JAK2KDRCYP3A4MAPK1

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 856/4885JAK2 59/4885L3MBTL1 2540/4885

“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.