SCHEMBL4017102

SCHEMBL4017102

O=Cc1cc(C(F)(F)F)cc(Br)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL2480104 0.79 CES2 (0.37) CES2NOTUM
SCHEMBL6792041 0.77 HSP90AA1 (0.36) CES2
SCHEMBL29175684 0.77 CYP3A4 (0.35) CES2
SCHEMBL4018885 0.77 CES2 (0.36) CES2
SCHEMBL13388164 0.74 ERN1 (0.32)
SCHEMBL29589485 0.73 CCR1 (0.34)
SCHEMBL9772995 0.73 CCR1 (0.34)
SCHEMBL4016343 0.72 TACR1 (0.36) NOTUM
SCHEMBL1186260 0.71 NT5E (0.38) CES2NOTUM
SCHEMBL29956511 0.69 HTR6 (0.36)

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
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
WO-2012145617-A9 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2014-02-20 WO disclosed
WO-2012145617-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2012-10-26 WO disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
US-8071778-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-06 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010148351-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
WO-2009096941-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-06 WO disclosed
CN-101495470-A 4 -arylalkoxymethyl-4- phenyl piperidines and their use as neurokinin receptor antagonists for the treatment of CNS disorders BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN disclosed
EP-2069328-A2 4-ARYLALKOXYMETHYL-4-PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS Brystol-Myers Squibb Company (US) 2009-06-17 EP disclosed
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
US-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2008-01-31 US disclosed
WO-2008014247-A2 4 -ARYLALKOXYMETHYL-4- PHENYL PIPERIDINES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-31 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-20080027056-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS CNR1, CNR2, PMP22 CES2 41/4885NOTUM 2417/4885
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 CES2 4328/4885NOTUM 3716/4885
US-20090030040-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 CES2 41/4885NOTUM 2417/4885
US-20100331315-A1 RHODANINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM2, PIM1, CDK2 CES2 3640/4885NOTUM 3638/4885

“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.