SCHEMBL987230

SCHEMBL987230

Nc1ncc(-c2cn(C3CCCCNC3=O)nn2)cc1-c1nnnn1-c1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.44
PSEN2 P49810 12/20 0.44
APH1B Q8WW43 12/20 0.44
NCSTN Q92542 12/20 0.44
APH1A Q96BI3 12/20 0.44
PSENEN Q9NZ42 12/20 0.44
KCNH2 Q12809 5/20 0.44
KCNN4 O15554 2/20 0.35
SRC P12931 2/20 0.34
MET P08581 3/20 0.33
BTK Q06187 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
SCHEMBL987229 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13731462 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27952707 0.87 MET (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL984704 0.84 MET (0.47) KCNH2KCNN4MET
SCHEMBL986014 0.80 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL986614 0.80 MET (0.38) KCNN4MET
SCHEMBL986593 0.80 KCNN4 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13593260 0.80 KCNN4 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL986932 0.79 MET (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL985713 0.79 MET (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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 7 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
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

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 PSEN1 4740/4885PSEN2 4752/4885APH1B 4056/4885
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CYP3A43, NAT1, UGT1A1 PSEN1 4740/4885PSEN2 4752/4885APH1B 4056/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 PSEN1 1801/4885PSEN2 1476/4885APH1B 2640/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PSEN1 1801/4885PSEN2 1476/4885APH1B 2640/4885

“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.