SCHEMBL987313

SCHEMBL987313

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
FYN P06241 1/20 0.46
CHEK2 O96017 1/20 0.46
HTT P42858 4/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACHE P22303 1/20 0.42
TP53 P04637 2/20 0.41
GRM5 P41594 1/20 0.41
JAK2 O60674 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
AKT1 P31749 2/20 0.39

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
SCHEMBL986080 0.87 CHEK2 (0.48) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL982746 0.87 FYN (0.48) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL986671 0.85 FYN (0.44) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL982823 0.83 FYN (0.41) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL985986 0.83 JAK2 (0.48) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL986850 0.83 FYN (0.44) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL985251 0.83 FYN (0.44) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL985504 0.82 FYN (0.46) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL987401 0.81 JAK2 (0.46) ALDH1A1L3MBTL1FYNCHEK2HTT
SCHEMBL984739 0.81 FYN (0.43) ALDH1A1L3MBTL1FYNCHEK2HTT

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
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
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 ALDH1A1 3864/4885L3MBTL1 1318/4885FYN 392/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ALDH1A1 3864/4885L3MBTL1 1318/4885FYN 392/4885

“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.