SCHEMBL1785180

SCHEMBL1785180

CC(C(=O)O)c1c(F)cc(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
AKR1C3 P42330 8/20 0.40
AKR1C2 P52895 8/20 0.40
PTGS1 P23219 5/20 0.40
CYP2C19 P33261 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 2/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL22443166 0.89 PTGS2 (0.41) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL28915928 0.80 AKR1C3 (0.40) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL16207444 0.79 PTGS1 (0.36) PTGS2PTGS1MEN1KMT2APSEN1
SCHEMBL1000705 0.79 KDM4E (0.44) PTGS2AKR1C3AKR1C2PTGS1MEN1
SCHEMBL17284101 0.77 PTGS2 (0.54) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL15645912 0.75 CES2 (0.47) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL15645990 0.75 CES2 (0.47) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL20993114 0.75 AKR1C3 (0.42) PTGS2AKR1C3AKR1C2PTGS1CYP2C19
SCHEMBL16207437 0.74 AKR1C3 (0.49) AKR1C3AKR1C2MEN1KMT2ACYP2C9
SCHEMBL29009979 0.73 AKR1C3 (0.42) PTGS2AKR1C3AKR1C2PTGS1CYP2C19

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459283-B Aminopyrazole triazolothiadiazole inhibitors of C-MET protein kinase VERTEX PHARMA 2014-11-12 CN disclosed
EP-2435443-B1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE VERTEX PHARMA (US) 2013-07-31 EP disclosed
EP-2435443-B1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE VERTEX PHARMA (US) 2013-07-31 EP disclosed
US-20130018072-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20130018072-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-20130018072-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 US disclosed
US-8269012-B2 Aminopyrazole triazolothiadiazole inhibitors of c-met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8269012-B2 Aminopyrazole triazolothiadiazole inhibitors of c-met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8269012-B2 Aminopyrazole triazolothiadiazole inhibitors of c-met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8269013-B2 Substituted pyrazole inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20110124684-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-26 US disclosed
WO-2010138673-A1 INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
WO-2010138663-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
WO-2010138663-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
WO-2010138665-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
WO-2010138665-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
WO-2010138673-A1 INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 WO disclosed
US-20100305156-A1 INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 US disclosed
US-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 US disclosed
US-20100305156-A1 INHIBITORS OF C-MET PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-02 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-20100305155-A1 SUBSTITUTED PYRAZOLE INHIBITORS OF C-MET PROTEIN KINASE MET, BRAF, DMPK PTGS2 2782/4885AKR1C3 2293/4885AKR1C2 2870/4885
US-20100305156-A1 INHIBITORS OF C-MET PROTEIN KINASE MET, BRAF, HGF PTGS2 2351/4885AKR1C3 2192/4885AKR1C2 2577/4885
US-20110124684-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTIEN KINASE MET, MELK, DMPK PTGS2 735/4885AKR1C3 2500/4885AKR1C2 3124/4885
US-20130018072-A1 AMINOPYRAZOLE TRIAZOLOTHIADIAZOLE INHIBITORS OF C-MET PROTEIN KINASE MET, ABL1, DMPK PTGS2 1599/4885AKR1C3 2470/4885AKR1C2 2888/4885

“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.