SCHEMBL4404685

SCHEMBL4404685

Nc1ncc(-c2ccc(N3CCCC3)nc2)cc1-c1nncn1-c1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.42
CNR1 P21554 1/20 0.37
ADK P55263 1/20 0.37
ACVR1 Q04771 1/20 0.36
FEN1 P39748 1/20 0.35
MET P08581 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PIK3CA P42336 1/20 0.34
JAK2 O60674 1/20 0.34
FYN P06241 1/20 0.33

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
SCHEMBL4409344 0.90 CNR2 (0.41) CNR2CNR1ADKFEN1PIK3CA
SCHEMBL4416785 0.85 MAP4K4 (0.43) FEN1FYN
SCHEMBL4405356 0.84 ATR (0.44) CNR2CNR1ADKFEN1
SCHEMBL4405468 0.84 MAP4K4 (0.42) FYN
SCHEMBL4405659 0.83 LRRK2 (0.46) FYN
SCHEMBL985992 0.83 CNR2 (0.42) CNR2CNR1ADKACVR1FEN1
SCHEMBL4824548 0.83 MAP4K1 (0.43) CNR2PIK3CA
SCHEMBL4405988 0.82 MAP4K4 (0.47)
SCHEMBL4407309 0.82 FYN (0.52) ACVR1FYN
SCHEMBL4406059 0.82 FYN (0.45) KDM4EJAK2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (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 CNR2 3266/4885CNR1 3027/4885ADK 219/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CNR2 3266/4885CNR1 3027/4885ADK 219/4885

“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.