SCHEMBL985315

SCHEMBL985315

CCCN1CCC(n2cc(-c3cnc(N)c(-c4nnnn4-c4cccc(F)c4F)c3)nn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.37
BTK Q06187 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
FGFR1 P11362 5/20 0.35
FGFR2 P21802 4/20 0.35
FGFR3 P22607 4/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP3K8 P41279 1/20 0.34
KCNN4 O15554 4/20 0.34

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
SCHEMBL982757 0.89 BTK (0.46) METBTKFGFR1FGFR2FGFR3
SCHEMBL983119 0.87 MET (0.38) METPSEN1PSEN2APH1BNCSTN
SCHEMBL986014 0.86 MET (0.37) METPSEN1PSEN2APH1BNCSTN
SCHEMBL986614 0.86 MET (0.38) METKCNN4
SCHEMBL984704 0.86 MET (0.47) METFGFR1FGFR2FGFR3KCNN4
SCHEMBL985713 0.85 MET (0.36) METPSEN1PSEN2APH1BNCSTN
SCHEMBL986932 0.83 MET (0.36) METPSEN1PSEN2APH1BNCSTN
SCHEMBL982717 0.83 MET (0.43) METBTKFGFR1FGFR2FGFR3
SCHEMBL986593 0.83 KCNN4 (0.35) METFGFR1PSEN1PSEN2APH1B
SCHEMBL13593260 0.83 KCNN4 (0.35) METFGFR1PSEN1PSEN2APH1B

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 18 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-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-08-28 US disclosed
EP-2699570-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF Centre National de la Recherche Scientifique (CNRS) (FR) 2014-02-26 EP disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 US disclosed
WO-2012143526-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2012-10-26 WO disclosed
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 (4 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-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CYP3A43, NAT1, UGT1A1 MET 2344/4885BTK 4167/4885DRD2 1371/4885
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CYP3A43, NAT1, UGT1A1 MET 2344/4885BTK 4167/4885DRD2 1371/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MET 1/4885BTK 164/4885DRD2 4836/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MET 1/4885BTK 164/4885DRD2 4836/4885

“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.