SCHEMBL982746

SCHEMBL982746

Nc1ncc(-c2cccnc2)cc1-c1nnnn1-c1c(F)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
CHEK2 O96017 2/20 0.46
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KCNN4 O15554 1/20 0.39
JAK2 O60674 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL987185 0.93 FYN (0.44) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL985251 0.91 FYN (0.44) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL986850 0.91 FYN (0.44) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL987401 0.89 JAK2 (0.46) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL985504 0.88 FYN (0.46) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL987460 0.88 JAK2 (0.45) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL988441 0.87 FYN (0.47) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL985598 0.87 FYN (0.48) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL987313 0.87 ALDH1A1 (0.47) FYNCHEK2ALDH1A1L3MBTL1HTT
SCHEMBL986671 0.85 FYN (0.44) FYNCHEK2ALDH1A1L3MBTL1HTT

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 16 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
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 FYN 392/4885CHEK2 134/4885ALDH1A1 3864/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 FYN 392/4885CHEK2 134/4885ALDH1A1 3864/4885

“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.