SCHEMBL983013

SCHEMBL983013

Nc1ncc(-c2ccc(C3CCNCC3)s2)cc1-c1nnnn1-c1cccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.35
P2RX7 Q99572 5/20 0.35
SCN9A Q15858 1/20 0.33
PTPN11 Q06124 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAP4K3 Q8IVH8 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ADRB1 P08588 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
JAK2 O60674 2/20 0.32
PIK3CA P42336 1/20 0.32
KCNN4 O15554 2/20 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
SCHEMBL984949 0.92 KCNN4 (0.35) LRRK2ALDH1A1TSHRMAP4K3CHRNB2
SCHEMBL984485 0.87 KCNN4 (0.36) LRRK2MAP4K3KCNN4
SCHEMBL986106 0.87 LRRK2 (0.37) LRRK2P2RX7ALDH1A1TSHRMAP4K3
SCHEMBL985993 0.82 PIK3CA (0.35) P2RX7SCN9APTPN11ALDH1A1TSHR
SCHEMBL988154 0.81 MAP4K3 (0.43) LRRK2ALDH1A1TSHRMAP4K3CHRNB2
SCHEMBL982952 0.80 JAK2 (0.53) MAP4K3JAK2
SCHEMBL988277 0.79 JAK2 (0.36) LRRK2ALDH1A1TSHRMAP4K3JAK2
SCHEMBL985882 0.78 JAK2 (0.51) MAP4K3JAK2
SCHEMBL985066 0.77 JAK2 (0.48) MAP4K3JAK2
SCHEMBL985116 0.77 JAK2 (0.48) MAP4K3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 LRRK2 347/4885P2RX7 3624/4885SCN9A 3497/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LRRK2 347/4885P2RX7 3624/4885SCN9A 3497/4885

“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.