SCHEMBL3665174

SCHEMBL3665174

COc1ccc(C(=O)ON)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.69
CA2 P00918 6/20 0.69
PARP10 Q53GL7 2/20 0.63
PARP1 P09874 1/20 0.63
PARP2 Q9UGN5 1/20 0.63
PARP4 Q9UKK3 1/20 0.63
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
PLK1 P53350 1/20 0.53
PRSS1 P07477 2/20 0.53
ACR P10323 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
PRSS2 P07478 1/20 0.52

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
SCHEMBL16241062 1.00 CA1 (0.69) CA1CA2PARP10PARP1PARP2
SCHEMBL4049434 0.91 CA1 (0.63) CA1CA2PARP10PARP1PARP2
Aniline SCHEMBL4258488 0.88 CES2 (0.56) CA1CA2PARP10PARP1PARP2
SCHEMBL1065026 0.83 MAPT (0.44) CA1CA2PARP10PARP4MEN1
Methyl 4-Methoxybenzoate SCHEMBL231243 0.82 CA1 (1.00) CA1CA2PARP10PARP1PARP2
SCHEMBL11792616 0.82 CA1 (0.64) CA1CA2KDM4EMEN1MAPT
SCHEMBL296613 0.82 CA1 (0.75) CA1CA2PARP10PARP1PARP2
SCHEMBL247019 0.82 CA1 (0.75) CA1CA2PARP10PARP1PARP2
SCHEMBL28535552 0.81 MAPT (0.51) CA1CA2MEN1MAPTKMT2A
SCHEMBL17734115 0.80 ACR (0.64) CA1CA2PARP10PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
CN-105294732-A Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG 2016-02-03 CN disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
US-4237305-A INTERMEDIATES FOR PREPARING NEW ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-02 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 (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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A CA1 3674/4885CA2 1516/4885PARP10 84/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A CA1 3674/4885CA2 1516/4885PARP10 84/4885

“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.